A0A087WP68_MOUSE Loading...

[histone H3]-dimethyl-L-lysine(36) demethylase

AlphaFold DB , UniProt , Accession A0A087WP68, Species MOUSE (Mus musculus, Mouse), Gene Kdm2a, Length 494 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	31.2	Very low	242 Å²	242	190.5 Å²	190.5	100%	1.192	89%	0.892	S	S	*	*				0	85.9	0	-178.5	-170.1	-69.6	0	0	106.1
2	E	27.1	Very low	31.2	Very low	190 Å²	190	190 Å²	190	89%	0.888	89%	0.889	S	S	*	*			trans	-149.1	136.6	166.6	-75.5	-169.1	146	0	0	104.6
3	P	36.4	Very low	31.2	Very low	129 Å²	129	192.8 Å²	192.8	84%	0.838	89%	0.886	S	S	*	*	P	Polyproline II helix	trans	-99.8	142.6	173	34.4	-27.7	0	0	0	111.8
4	E	32.4	Very low	31.6	Very low	195 Å²	195	191 Å²	191	91%	0.911	89%	0.886	S	S	*	*	P	Polyproline II helix	trans	-74.2	157.2	177.4	-64.3	172.2	120.1	0	0	112.7
5	E	32.5	Very low	31.7	Very low	194 Å²	194	193.3 Å²	193.3	91%	0.907	88%	0.883	S	S	*	*	P	Polyproline II helix	trans	-73.7	124	-179.3	-61	178.9	135.5	0	0	113.2	R7	E5-R7 PolarHBondContact O-N 2.81Å
6	E	28.8	Very low	32.1	Very low	188 Å²	188	186.6 Å²	186.6	88%	0.879	88%	0.884	S	S	*	*			trans	-78.6	101	171.5	-83.1	-166.2	127.2	0	0	112.5	I8	E6-I8 PolarHBondContact O-N 2.66Å; E6-I8 VanDerWaalsContact O-N 3.16Å
7	R	30.5	Very low	32.1	Very low	236 Å²	236	183.1 Å²	183.1	89%	0.891	88%	0.878	S	S	*	*			trans	-67.7	105.4	159.8	-81.2	-174.6	169.4	-158.7	-2.9	110.5	E5 R9	E5-R7 PolarHBondContact O-N 2.81Å; R7-R9 PolarHBondContact O-N 3.11Å; R7-R9 VanDerWaalsContact O-N 3.13Å
8	I	29.4	Very low	31.9	Very low	157 Å²	157	182.8 Å²	182.8	81%	0.805	88%	0.878	S	S	*	*			trans	-62	112.7	175.1	-60.5	176.2	0	0	0	110.1	E6	E6-I8 PolarHBondContact O-N 2.66Å; E6-I8 VanDerWaalsContact O-N 3.16Å
9	R	29.1	Very low	31.9	Very low	230 Å²	230	186.3 Å²	186.3	87%	0.868	88%	0.881	S	S	*	*			trans	-88.7	125.3	174.6	-64.4	-179.5	-177	177.3	1.4	110.2	R7 S11	R7-R9 PolarHBondContact O-N 3.11Å; R7-R9 VanDerWaalsContact O-N 3.13Å; R9-S11 PolarHBondContact O-N 3.44Å
10	Y	30.8	Very low	31.9	Very low	231 Å²	231	187.8 Å²	187.8	91%	0.906	88%	0.878	S	S	*	*			trans	-60.7	128.9	169.3	-81	-87.2	0	0	0	111.1	Q12	Y10-Q12 PolarHBondContact O-N 2.68Å
11	S	29.4	Very low	31.8	Very low	104 Å²	104	189.1 Å²	189.1	73%	0.727	88%	0.875	S	S	*	*			trans	-78.4	110.5	-175.3	67.5	0	0	0	0	112.3	R9 R13	R9-S11 PolarHBondContact O-N 3.44Å; S11-R13 PolarHBondContact O-N 2.98Å
12	Q	31.7	Very low	31.7	Very low	184 Å²	184	187.7 Å²	187.7	86%	0.86	86%	0.858	S	S	*	*			trans	-70.8	105.2	164.2	-74.4	-179.7	-17.8	0	0	110.1	Y10	Y10-Q12 PolarHBondContact O-N 2.68Å
13	R	31.3	Very low	32	Very low	226 Å²	226	185.9 Å²	185.9	85%	0.853	85%	0.849	S	S	*	*			trans	-92.5	95.4	163.6	-81.8	-172.6	173.7	-178.2	-0.3	110.1	S11 R15	S11-R13 PolarHBondContact O-N 2.98Å; R13-R15 PolarHBondContact O-N 2.97Å; R13-R15 VanDerWaalsContact O-N 3.16Å
14	L	36.1	Very low	32.1	Very low	168 Å²	168	187.3 Å²	187.3	88%	0.88	85%	0.85	S	S	*	*			trans	-56.1	113.9	166.9	-74.1	159	0	0	0	110.2
15	R	33.9	Very low	32.4	Very low	225 Å²	225	185.4 Å²	185.4	85%	0.849	85%	0.846	S	S	*	*			trans	-122.2	97.2	158.3	-81.2	-172.4	172.2	-178.8	-2	108.1	R13 T17	R13-R15 PolarHBondContact O-N 2.97Å; R13-R15 VanDerWaalsContact O-N 3.16Å; R15-T17 PolarHBondContact O-N 2.93Å
16	G	38.1	Very low	32.6	Very low	87 Å²	87	179.2 Å²	179.2	90%	0.897	83%	0.834	S	S	*	*			trans	-65.6	112.9	170.9	0	0	0	0	0	109.5
17	T	31.9	Very low	33.1	Very low	127 Å²	127	178.2 Å²	178.2	78%	0.779	83%	0.833	S	S	*	*			trans	-111.8	112.3	172.7	-47	0	0	0	0	108.1	R15 R19	R15-T17 PolarHBondContact O-N 2.93Å; T17-R19 PolarHBondContact O-N 3.16Å
18	M	27.6	Very low	33.7	Very low	177 Å²	177	171.2 Å²	171.2	87%	0.872	82%	0.821	S	S	*	*			trans	-51.8	126.8	178.3	-173.5	174.4	-179.8	0	0	110.6	R20	M18-R20 PolarHBondContact O-N 2.92Å
19	R	31.5	Very low	34.1	Very low	249 Å²	249	170 Å²	170	94%	0.94	82%	0.816	S	S	*	*			trans	-59.9	99.2	173.4	-83.5	-178.3	169.5	175.4	-4.8	109.3	T17 R21	T17-R19 PolarHBondContact O-N 3.16Å; R19-R21 PolarHBondContact O-N 3.04Å
20	R	31.9	Very low	34.6	Very low	216 Å²	216	164.8 Å²	164.8	82%	0.815	81%	0.805	S	S	*	*			trans	-70	114.8	161.3	-80	-176.1	170.9	172.7	-3.8	107.6	M18	M18-R20 PolarHBondContact O-N 2.92Å
21	R	30.7	Very low	35	Very low	216 Å²	216	163.5 Å²	163.5	82%	0.815	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-63.5	132.8	154.2	-72.5	179.7	177.6	169.6	-2.2	106.6	R19	R19-R21 PolarHBondContact O-N 3.04Å
22	Y	35.3	Very low	35.8	Very low	213 Å²	213	164.6 Å²	164.6	84%	0.835	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-84.4	116.4	154.1	-72.3	-84.4	0	0	0	105.4
23	E	33	Very low	36.4	Very low	151 Å²	151	161.7 Å²	161.7	71%	0.706	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-83.2	116.3	165.8	-74.7	167.3	169.5	0	0	105.7	D25	E23-D25 VanDerWaalsContact C-N 3.29Å; E23-D25 PolarHBondContact O-N 2.78Å; E23-D25 VanDerWaalsContact O-N 3.16Å
24	D	37	Very low	37.3	Very low	159 Å²	159	153.3 Å²	153.3	85%	0.85	77%	0.774	S	S	*	*			trans	-88.1	68.5	-173.9	-167.8	23.2	0	0	0	109.4	G26	D24-G26 PolarHBondContact O-N 2.54Å
25	D	39.4	Very low	38.6	Very low	155 Å²	155	151.7 Å²	151.7	83%	0.829	76%	0.76	S	S	*	*			trans	-78.6	71.7	179.9	-81.9	-17.8	0	0	0	111	E23	E23-D25 VanDerWaalsContact C-N 3.29Å; E23-D25 PolarHBondContact O-N 2.78Å; E23-D25 VanDerWaalsContact O-N 3.16Å
26	G	36.7	Very low	40.8	Very low	65 Å²	65	143.6 Å²	143.6	67%	0.67	73%	0.73	S	S	*	*			trans	-123.5	74.6	175.3	0	0	0	0	0	112.4	D24 S28	D24-G26 PolarHBondContact O-N 2.54Å; G26-S28 PolarHBondContact O-N 2.84Å
27	I	39.7	Very low	43.3	Very low	166 Å²	166	144.1 Å²	144.1	85%	0.851	72%	0.715	S	S	*	*			trans	-75.3	119.1	178.3	-60.9	169.2	0	0	0	110.8
28	S	42.2	Very low	46.3	Very low	90 Å²	90	139 Å²	139	63%	0.629	68%	0.683	S	S	*	*				166.6	143.2	119.7	-142.1	0	0	0	0	111.3	G26	G26-S28 PolarHBondContact O-N 2.84Å
29	D	38.3	Very low	49.5	Very low	132 Å²	132	135.1 Å²	135.1	71%	0.706	67%	0.665	S	S	*	*			trans	53.1	98.2	157	-53.1	10.3	0	0	0	115.4
30	D	40	Very low	52.6	Low	119 Å²	119	124.6 Å²	124.6	64%	0.636	63%	0.627	S	S	*	*			cis	-164.8	128.4	48.2	-93.6	-42.7	0	0	0	112.6	I32	D30-I32 HydrophobicContact CB-CB 3.97Å; D30-I32 HydrophobicContact CB-CD1 3.93Å; D30-I32 HydrophobicContact CB-CG1 3.73Å; D30-I32 VanDerWaalsContact CG-CD1 3.43Å; D30-I32 PolarHBondContact O-N 3.42Å; D30-I32 VanDerWaalsContact O-N 3.14Å; D30-I32 VanDerWaalsContact OD2-CD1 3.27Å; D30-I32 WeakPolarHBondContact OD2-CD1 3.39Å
31	E	40.2	Very low	55.7	Low	205 Å²	205	118.7 Å²	118.7	96%	0.958	61%	0.609	S	S	*	*			trans	-77.5	37.5	153	-71.3	-169.4	136.8	0	0	111	E33	E31-E33 PolarHBondContact O-N 3.13Å
32	I	45.1	Very low	58.9	Low	126 Å²	126	112.1 Å²	112.1	65%	0.646	59%	0.587	S	S	*	*			trans	-65.6	108.9	161.1	-69	173.7	0	0	0	105.4	D30 G34	D30-I32 HydrophobicContact CB-CB 3.97Å; D30-I32 HydrophobicContact CB-CD1 3.93Å; D30-I32 HydrophobicContact CB-CG1 3.73Å; D30-I32 VanDerWaalsContact CG-CD1 3.43Å; D30-I32 PolarHBondContact O-N 3.42Å; D30-I32 VanDerWaalsContact O-N 3.14Å; D30-I32 VanDerWaalsContact OD2-CD1 3.27Å; D30-I32 WeakPolarHBondContact OD2-CD1 3.39Å; I32-G34 PolarHBondContact O-N 3.42Å
33	E	45.1	Very low	61.9	Low	124 Å²	124	102.5 Å²	102.5	58%	0.579	55%	0.55	S	S	*	.			trans	-40.9	134	174.2	-64.3	169.5	100.5	0	0	109.8	E31 K35	E31-E33 PolarHBondContact O-N 3.13Å; E33-K35 HydrophobicContact CB-CD 4.16Å; E33-K35 HydrophobicContact CB-CG 4.03Å; E33-K35 VanDerWaalsContact CD-CE 3.43Å; E33-K35 PolarHBondContact O-N 2.9Å; E33-K35 WeakPolarHBondContact OE1-CE 3.45Å; E33-K35 IonicContact OE1-NZ 2.81Å; E33-K35 PolarHBondContact OE1-NZ 3.36Å; E33-K35 WeakPolarHBondContact OE2-CE 3.27Å; E33-K35 IonicContact OE2-NZ 3.32Å; E33-K35 PolarHBondContact OE2-NZ 3.34Å
34	G	49.6	Very low	65	Low	50 Å²	50	96.4 Å²	96.4	52%	0.515	52%	0.522	S	S	.	.			trans	-66.9	32.6	175.6	0	0	0	0	0	114.4	I32 R36	I32-G34 PolarHBondContact O-N 3.42Å; G34-R36 PolarHBondContact O-N 3.3Å
35	K	62.6	Low	67.9	Low	134 Å²	134	94.9 Å²	94.9	58%	0.583	51%	0.51	S	S	*	.			trans	-60.4	119.6	175.7	-79.9	173.5	176	159.9	0	109.3	E33 T37	E33-K35 HydrophobicContact CB-CD 4.16Å; E33-K35 HydrophobicContact CB-CG 4.03Å; E33-K35 VanDerWaalsContact CD-CE 3.43Å; E33-K35 PolarHBondContact O-N 2.9Å; E33-K35 WeakPolarHBondContact OE1-CE 3.45Å; E33-K35 IonicContact OE1-NZ 2.81Å; E33-K35 PolarHBondContact OE1-NZ 3.36Å; E33-K35 WeakPolarHBondContact OE2-CE 3.27Å; E33-K35 IonicContact OE2-NZ 3.32Å; E33-K35 PolarHBondContact OE2-NZ 3.34Å; K35-T37 PolarHBondContact O-N 2.73Å
36	R	82	Confident	70.6	Confident	55 Å²	55	89.2 Å²	89.2	21%	0.208	48%	0.481	C	S	.	.			trans	-44.7	125.3	157.8	-85.4	176.7	-81.5	-81.4	-3	108.9	G34 F38 V113 G254	G34-R36 PolarHBondContact O-N 3.3Å; R36-F38 HydrophobicContact CB-CE1 4.43Å; R36-F38 HydrophobicContact CB-CZ 4.44Å; R36-F38 HydrophobicContact CG-CD1 4.46Å; R36-F38 HydrophobicContact CG-CE1 3.87Å; R36-F38 HydrophobicContact CG-CE2 4.14Å; R36-F38 HydrophobicContact CG-CZ 3.7Å; R36-V113 PolarHBondContact NH1-O 3.49Å; R36-V113 PolarHBondContact NH2-O 3.08Å; R36-G254 WeakPolarHBondContact CA-O 3.46Å
37	T	90.4	Very high	73.5	Confident	98 Å²	98	92.6 Å²	92.6	60%	0.601	48%	0.484	S	S	*	.	S	Bend	trans	-87.2	-17.1	175.9	75.7	0	0	0	0	111.8	K35 G254 D255	K35-T37 PolarHBondContact O-N 2.73Å; T37-G254 PolarHBondContact N-O 2.94Å; T37-D255 WeakPolarHBondContact CG2-OD1 3.06Å; T37-D255 WeakPolarHBondContact OG1-CA 3.29Å
38	F	93.6	Very high	76.3	Confident	20 Å²	20	88.9 Å²	88.9	9%	0.088	46%	0.462	C	S	.	.	S	Bend	trans	-82.3	138.3	172.1	63.4	-102	0	0	0	111.3	R36 L40 K43 Y208 G254 F257	R36-F38 HydrophobicContact CB-CE1 4.43Å; R36-F38 HydrophobicContact CB-CZ 4.44Å; R36-F38 HydrophobicContact CG-CD1 4.46Å; R36-F38 HydrophobicContact CG-CE1 3.87Å; R36-F38 HydrophobicContact CG-CE2 4.14Å; R36-F38 HydrophobicContact CG-CZ 3.7Å; F38-L40 HydrophobicContact CE2-CD1 4.23Å; F38-L40 PolarHBondContact O-N 3.1Å; F38-K43 HydrophobicContact CD2-CG 4.44Å; F38-Y208 HydrophobicContact CZ-CE1 4.15Å; F38-G254 WeakPolarHBondContact CD1-O 3.5Å; F38-F257 HydrophobicContact CB-CB 4.36Å; F38-F257 HydrophobicContact CD1-CB 4.08Å; F38-F257 HydrophobicContact CD2-CB 4.13Å; F38-F257 AromaticContact CD2-CD2 3.87Å; F38-F257 HydrophobicContact CD2-CD2 3.87Å; F38-F257 HydrophobicContact CD2-CG 4.39Å; F38-F257 HydrophobicContact CE1-CB 4.34Å; F38-F257 HydrophobicContact CE1-CD2 4.45Å; F38-F257 HydrophobicContact CE2-CB 4.42Å; F38-F257 AromaticContact CE2-CD2 3.51Å; F38-F257 HydrophobicContact CE2-CD2 3.51Å; F38-F257 HydrophobicContact CE2-CE2 4.25Å; F38-F257 HydrophobicContact CE2-CG 4.41Å; F38-F257 HydrophobicContact CG-CB 3.95Å; F38-F257 HydrophobicContact CG-CD2 4.5Å; F38-F257 HydrophobicContact CZ-CB 4.5Å; F38-F257 AromaticContact CZ-CD2 3.81Å; F38-F257 HydrophobicContact CZ-CD2 3.81Å
39	D	95.7	Very high	79	Confident	95 Å²	95	85.2 Å²	85.2	51%	0.508	43%	0.434	S	S	.	.			trans	-74.1	109.9	174.1	179.6	-1.5	0	0	0	110	E41 E42 K43	D39-E41 VanDerWaalsContact C-N 3.32Å; D39-E41 WeakPolarHBondContact OD1-CA 2.92Å; D39-E41 WeakPolarHBondContact OD1-CB 3.13Å; D39-E41 PolarHBondContact OD1-N 3.03Å; D39-E42 HydrophobicContact CB-CB 4.04Å; D39-E42 WeakPolarHBondContact O-CB 3.45Å; D39-E42 PolarHBondContact O-N 2.68Å; D39-E42 PolarHBondContact OD1-N 3.12Å; D39-K43 WeakPolarHBondContact O-CE 3.45Å; D39-K43 WeakPolarHBondContact O-CG 3.37Å; D39-K43 PolarHBondContact O-N 3.42Å
40	L	95.6	Very high	81.8	Confident	28 Å²	28	84.5 Å²	84.5	15%	0.147	43%	0.43	C	S	.	.	H	α-helix	trans	-69.3	-28.7	178.8	-174.4	65.1	0	0	0	112.5	F38 K43 L44 Y208 W232 F257 Y287	F38-L40 HydrophobicContact CE2-CD1 4.23Å; F38-L40 PolarHBondContact O-N 3.1Å; L40-K43 CarbonylContact O-C 3.55Å; L40-K43 PolarHBondContact O-N 3.22Å; L40-K43 VanDerWaalsContact O-N 3.13Å; L40-L44 HydrophobicContact CG-CD1 4.32Å; L40-L44 WeakPolarHBondContact O-CG 3.35Å; L40-L44 PolarHBondContact O-N 3.23Å; L40-Y208 HydrophobicContact CD1-CD2 3.56Å; L40-Y208 HydrophobicContact CD1-CE2 3.53Å; L40-Y208 HydrophobicContact CD1-CG 4.3Å; L40-Y208 HydrophobicContact CD2-CD2 3.81Å; L40-Y208 HydrophobicContact CD2-CG 3.93Å; L40-Y208 HydrophobicContact CG-CD2 4.37Å; L40-W232 HydrophobicContact CD1-CH2 4.01Å; L40-F257 HydrophobicContact CD1-CE2 4.48Å; L40-Y287 HydrophobicContact CD2-CD2 3.86Å; L40-Y287 HydrophobicContact CD2-CE2 4.19Å
41	E	96.9	Very high	84.6	Confident	92 Å²	92	79.3 Å²	79.3	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-69.9	-38.2	178	-169.7	60.1	-150.2	0	0	110.4	D39 K43 L44 Q45	D39-E41 VanDerWaalsContact C-N 3.32Å; D39-E41 WeakPolarHBondContact OD1-CA 2.92Å; D39-E41 WeakPolarHBondContact OD1-CB 3.13Å; D39-E41 PolarHBondContact OD1-N 3.03Å; E41-K43 VanDerWaalsContact C-N 3.26Å; E41-K43 PolarHBondContact O-N 2.98Å; E41-L44 PolarHBondContact O-N 2.86Å; E41-L44 VanDerWaalsContact O-N 3.08Å; E41-Q45 HydrophobicContact CG-CG 4.27Å; E41-Q45 WeakPolarHBondContact O-CG 3.23Å; E41-Q45 PolarHBondContact O-N 3.49Å; E41-Q45 WeakPolarHBondContact OE1-CG 3.22Å; E41-Q45 PolarHBondContact OE1-NE2 3.27Å
42	E	97.8	Very high	87.4	Confident	77 Å²	77	76.7 Å²	76.7	36%	0.36	40%	0.396	S	S	.	.	H	α-helix	trans	-53.8	-45.5	167.1	-174.5	-127.7	122	0	0	110.9	D39 L44 Q45 T46 K48	D39-E42 HydrophobicContact CB-CB 4.04Å; D39-E42 WeakPolarHBondContact O-CB 3.45Å; D39-E42 PolarHBondContact O-N 2.68Å; D39-E42 PolarHBondContact OD1-N 3.12Å; E42-L44 VanDerWaalsContact C-N 3.27Å; E42-L44 PolarHBondContact O-N 3.26Å; E42-Q45 PolarHBondContact O-N 3.49Å; E42-T46 VanDerWaalsContact O-CB 3.23Å; E42-T46 WeakPolarHBondContact O-CB 3.21Å; E42-T46 WeakPolarHBondContact O-CG2 3.33Å; E42-T46 PolarHBondContact O-N 3.16Å; E42-K48 IonicContact OE1-NZ 2.63Å; E42-K48 PolarHBondContact OE1-NZ 3.28Å
43	K	98.1	Very high	90	Very high	11 Å²	11	72.8 Å²	72.8	5%	0.048	38%	0.375	C	S	.	.	H	α-helix	trans	-69.4	-23.1	-179.9	-42.1	-52	159.9	-176.5	0	112.9	F38 D39 L40 E41 Y49 W232 F257 D260 R267	F38-K43 HydrophobicContact CD2-CG 4.44Å; D39-K43 WeakPolarHBondContact O-CE 3.45Å; D39-K43 WeakPolarHBondContact O-CG 3.37Å; D39-K43 PolarHBondContact O-N 3.42Å; L40-K43 CarbonylContact O-C 3.55Å; L40-K43 PolarHBondContact O-N 3.22Å; L40-K43 VanDerWaalsContact O-N 3.13Å; E41-K43 VanDerWaalsContact C-N 3.26Å; E41-K43 PolarHBondContact O-N 2.98Å; K43-Y49 HydrophobicContact CB-CE2 4.11Å; K43-Y49 WeakPolarHBondContact CD-OH 3.34Å; K43-Y49 WeakPolarHBondContact O-CE2 3.32Å; K43-W232 HydrophobicContact CB-CZ2 3.97Å; K43-W232 WeakPolarHBondContact O-CZ2 3.13Å; K43-W232 PolarHBondContact O-NE1 2.87Å; K43-F257 HydrophobicContact CB-CE1 4.17Å; K43-F257 HydrophobicContact CB-CE2 4.07Å; K43-F257 HydrophobicContact CB-CZ 3.87Å; K43-F257 HydrophobicContact CD-CB 4.44Å; K43-F257 HydrophobicContact CD-CD1 3.87Å; K43-F257 HydrophobicContact CD-CD2 4.4Å; K43-F257 HydrophobicContact CD-CE1 4.21Å; K43-F257 HydrophobicContact CD-CG 3.97Å; K43-F257 HydrophobicContact CG-CD1 4.06Å; K43-F257 HydrophobicContact CG-CD2 3.85Å; K43-F257 HydrophobicContact CG-CE1 4.1Å; K43-F257 HydrophobicContact CG-CE2 3.87Å; K43-F257 HydrophobicContact CG-CG 3.93Å; K43-F257 HydrophobicContact CG-CZ 4Å; K43-D260 IonicContact NZ-OD2 2.68Å; K43-D260 PolarHBondContact NZ-OD2 2.66Å; K43-R267 PolarHBondContact O-NH1 3.32Å
44	L	98.1	Very high	92.5	Very high	23 Å²	23	67.6 Å²	67.6	12%	0.12	35%	0.352	C	S	.	.	H	α-helix	trans	-84.6	-33.9	176.1	-74.8	167	0	0	0	113.2	L40 E41 E42 V230 W232 R267 Y287	L40-L44 HydrophobicContact CG-CD1 4.32Å; L40-L44 WeakPolarHBondContact O-CG 3.35Å; L40-L44 PolarHBondContact O-N 3.23Å; E41-L44 PolarHBondContact O-N 2.86Å; E41-L44 VanDerWaalsContact O-N 3.08Å; E42-L44 VanDerWaalsContact C-N 3.27Å; E42-L44 PolarHBondContact O-N 3.26Å; L44-V230 HydrophobicContact CD2-CB 4.3Å; L44-V230 HydrophobicContact CD2-CG1 4.04Å; L44-V230 HydrophobicContact CD2-CG2 4.44Å; L44-W232 HydrophobicContact CD2-CH2 3.53Å; L44-W232 HydrophobicContact CD2-CZ2 3.8Å; L44-W232 HydrophobicContact CG-CH2 4.03Å; L44-W232 HydrophobicContact CG-CZ2 4.13Å; L44-R267 PolarHBondContact O-NE 3.1Å; L44-R267 PolarHBondContact O-NH1 3.45Å; L44-R267 VanDerWaalsContact O-NH1 3.11Å; L44-R267 PolarHBondContact O-NH2 3.13Å; L44-R267 VanDerWaalsContact O-NH2 3.15Å; L44-Y287 HydrophobicContact CD1-CD1 3.72Å; L44-Y287 HydrophobicContact CD1-CD2 4.27Å; L44-Y287 HydrophobicContact CD1-CE1 3.53Å; L44-Y287 HydrophobicContact CD1-CE2 4.13Å; L44-Y287 HydrophobicContact CD1-CG 4.06Å; L44-Y287 HydrophobicContact CD2-CD1 3.47Å; L44-Y287 VanDerWaalsContact CD2-CD1 3.47Å; L44-Y287 HydrophobicContact CD2-CE1 4.03Å; L44-Y287 HydrophobicContact CD2-CG 3.94Å; L44-Y287 HydrophobicContact CG-CD1 4.24Å; L44-Y287 HydrophobicContact CG-CE1 4.46Å
45	Q	97.9	Very high	94.9	Very high	127 Å²	127	67.9 Å²	67.9	59%	0.593	34%	0.343	S	S	*	.	H	α-helix	trans	-93.1	-31.1	-176.3	-62.3	-60.5	-22.5	0	0	113.9	E41 E42	E41-Q45 HydrophobicContact CG-CG 4.27Å; E41-Q45 WeakPolarHBondContact O-CG 3.23Å; E41-Q45 PolarHBondContact O-N 3.49Å; E41-Q45 WeakPolarHBondContact OE1-CG 3.22Å; E41-Q45 PolarHBondContact OE1-NE2 3.27Å; E42-Q45 PolarHBondContact O-N 3.49Å
46	T	97.8	Very high	96.6	Very high	37 Å²	37	66.6 Å²	66.6	23%	0.227	34%	0.338	C	S	.	.			trans	-61.2	145.3	-177	-172.4	0	0	0	0	112.9	E42 K48 Y49 R267	E42-T46 VanDerWaalsContact O-CB 3.23Å; E42-T46 WeakPolarHBondContact O-CB 3.21Å; E42-T46 WeakPolarHBondContact O-CG2 3.33Å; E42-T46 PolarHBondContact O-N 3.16Å; T46-K48 HydrophobicContact CG2-CD 3.98Å; T46-K48 HydrophobicContact CG2-CG 3.81Å; T46-K48 PolarHBondContact OG1-N 2.7Å; T46-Y49 HydrophobicContact CG2-CD2 3.86Å; T46-Y49 HydrophobicContact CG2-CE2 3.48Å; T46-Y49 VanDerWaalsContact CG2-CE2 3.48Å; T46-R267 VanDerWaalsContact O-CZ 3.26Å; T46-R267 PolarHBondContact O-NH1 3.02Å; T46-R267 PolarHBondContact O-NH2 3.24Å
47	N	97.3	Very high	97.3	Very high	136 Å²	136	65.3 Å²	65.3	73%	0.727	34%	0.335	S	S	*	.	S	Bend	trans	-96.5	14	175.6	-69.9	-46.8	0	0	0	113.3
48	K	98.1	Very high	97.7	Very high	88 Å²	88	65.8 Å²	65.8	38%	0.383	33%	0.33	S	S	.	.			trans	-74.3	-21.6	-176.8	78.1	-164.7	-177.1	-174.3	0	114.5	E42 T46 N50 D260	E42-K48 IonicContact OE1-NZ 2.63Å; E42-K48 PolarHBondContact OE1-NZ 3.28Å; T46-K48 HydrophobicContact CG2-CD 3.98Å; T46-K48 HydrophobicContact CG2-CG 3.81Å; T46-K48 PolarHBondContact OG1-N 2.7Å; K48-N50 VanDerWaalsContact C-N 3.26Å; K48-N50 PolarHBondContact O-N 3.35Å; K48-N50 VanDerWaalsContact O-N 3.11Å; K48-D260 WeakPolarHBondContact CE-OD1 3.47Å; K48-D260 VanDerWaalsContact NZ-CG 3.27Å; K48-D260 IonicContact NZ-OD1 3.71Å; K48-D260 PolarHBondContact NZ-OD1 3.19Å; K48-D260 IonicContact NZ-OD2 2.81Å; K48-D260 PolarHBondContact NZ-OD2 3.38Å
49	Y	98.6	Very high	97.9	Very high	13 Å²	13	64.9 Å²	64.9	5%	0.051	33%	0.326	C	S	.	.			trans	-87.8	59.4	177.9	-49.5	-58.3	0	0	0	111.7	K43 T46 W232 F257 D260 C265 R267	K43-Y49 HydrophobicContact CB-CE2 4.11Å; K43-Y49 WeakPolarHBondContact CD-OH 3.34Å; K43-Y49 WeakPolarHBondContact O-CE2 3.32Å; T46-Y49 HydrophobicContact CG2-CD2 3.86Å; T46-Y49 HydrophobicContact CG2-CE2 3.48Å; T46-Y49 VanDerWaalsContact CG2-CE2 3.48Å; Y49-W232 AromaticContact CD2-CD1 3.63Å; Y49-W232 AromaticContact CD2-NE1 3.39Å; Y49-W232 AromaticContact CE2-CD1 3.89Å; Y49-W232 AromaticContact CE2-NE1 3.43Å; Y49-W232 AromaticContact CG-CD1 3.94Å; Y49-F257 HydrophobicContact CE1-CE1 4.07Å; Y49-F257 HydrophobicContact CE2-CE1 4.12Å; Y49-F257 AromaticContact CZ-CE1 3.54Å; Y49-F257 WeakPolarHBondContact OH-CD1 3.29Å; Y49-F257 VanDerWaalsContact OH-CE1 3.22Å; Y49-F257 WeakPolarHBondContact OH-CE1 3.37Å; Y49-D260 VanDerWaalsContact CE1-OD1 3.29Å; Y49-D260 WeakPolarHBondContact CE1-OD1 3.39Å; Y49-D260 VanDerWaalsContact CZ-OD1 3.3Å; Y49-D260 PolarHBondContact OH-OD1 2.63Å; Y49-C265 CarbonylContact C-O 3.51Å; Y49-C265 WeakPolarHBondContact CA-O 3.36Å; Y49-C265 HydrophobicContact CD1-CB 3.98Å; Y49-R267 HydrophobicContact CD2-CB 4.19Å; Y49-R267 HydrophobicContact CG-CB 4.39Å; Y49-R267 PolarHBondContact O-N 3.03Å
50	N	98.4	Very high	98	Very high	117 Å²	117	66.1 Å²	66.1	63%	0.626	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-103.9	16.6	-168	64.1	4.1	0	0	0	114.4	K48 C265	K48-N50 VanDerWaalsContact C-N 3.26Å; K48-N50 PolarHBondContact O-N 3.35Å; K48-N50 VanDerWaalsContact O-N 3.11Å; N50-C265 PolarHBondContact N-O 2.77Å
51	A	98.7	Very high	98.1	Very high	10 Å²	10	68 Å²	68	8%	0.083	34%	0.337	C	S	.	.			trans	-62.6	154.3	172.2	0	0	0	0	0	111.2	F53 D264 C265 Q266	A51-F53 HydrophobicContact CB-CD2 4.15Å; A51-F53 HydrophobicContact CB-CE1 4.08Å; A51-F53 HydrophobicContact CB-CE2 3.56Å; A51-F53 HydrophobicContact CB-CZ 3.52Å; A51-D264 HydrophobicContact CB-CB 4.07Å; A51-C265 WeakPolarHBondContact CB-O 3.49Å; A51-C265 PolarHBondContact N-O 3.14Å; A51-Q266 HydrophobicContact CB-CB 4.2Å; A51-Q266 VanDerWaalsContact O-CB 3.25Å; A51-Q266 WeakPolarHBondContact O-CB 3.48Å; A51-Q266 WeakPolarHBondContact O-CG 3.47Å; A51-Q266 PolarHBondContact O-NE2 3.15Å
52	N	98.3	Very high	98.2	Very high	149 Å²	149	63.8 Å²	63.8	80%	0.797	32%	0.318	S	S	*	.			trans	-121.3	75.9	-175.1	-65.9	-55.2	0	0	0	110.4
53	F	98.7	Very high	98.2	Very high	44 Å²	44	63 Å²	63	19%	0.193	32%	0.316	C	S	.	.			trans	-92.2	-36.3	178.5	-54.5	-50.7	0	0	0	112.9	A51 T55 L233 P235 D264 Q266 W282	A51-F53 HydrophobicContact CB-CD2 4.15Å; A51-F53 HydrophobicContact CB-CE1 4.08Å; A51-F53 HydrophobicContact CB-CE2 3.56Å; A51-F53 HydrophobicContact CB-CZ 3.52Å; F53-T55 PolarHBondContact O-N 3.47Å; F53-L233 HydrophobicContact CD2-CB 4.5Å; F53-P235 HydrophobicContact CE1-CG 3.96Å; F53-P235 HydrophobicContact CE2-CG 4.25Å; F53-P235 HydrophobicContact CZ-CG 3.7Å; F53-D264 HydrophobicContact CE1-CB 4.45Å; F53-D264 HydrophobicContact CZ-CB 3.74Å; F53-Q266 HydrophobicContact CD2-CB 3.62Å; F53-Q266 HydrophobicContact CE2-CB 4.06Å; F53-W282 HydrophobicContact CB-CH2 3.54Å; F53-W282 HydrophobicContact CB-CZ3 3.89Å; F53-W282 HydrophobicContact CD1-CH2 4.05Å; F53-W282 HydrophobicContact CD2-CH2 4.01Å; F53-W282 AromaticContact CD2-CZ3 3.71Å; F53-W282 HydrophobicContact CD2-CZ3 3.71Å; F53-W282 HydrophobicContact CE2-CZ3 4.38Å; F53-W282 AromaticContact CG-CH2 3.61Å; F53-W282 HydrophobicContact CG-CH2 3.61Å; F53-W282 AromaticContact CG-CZ3 3.82Å; F53-W282 HydrophobicContact CG-CZ3 3.82Å
54	V	98.8	Very high	98.2	Very high	16 Å²	16	64.4 Å²	64.4	10%	0.097	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-72	124.5	-173.2	175.4	0	0	0	0	111.5	F56 P75 I77 L233 I268 F276	V54-F56 HydrophobicContact CG1-CE2 4.49Å; V54-P75 CarbonylContact C-O 3.48Å; V54-P75 WeakPolarHBondContact CA-O 3.39Å; V54-P75 HydrophobicContact CG2-CB 4.08Å; V54-I77 HydrophobicContact CG1-CB 4.07Å; V54-I77 HydrophobicContact CG1-CD1 3.76Å; V54-I77 HydrophobicContact CG1-CG1 3.66Å; V54-L233 HydrophobicContact CG2-CD1 3.38Å; V54-I268 HydrophobicContact CB-CD1 3.81Å; V54-I268 HydrophobicContact CG1-CD1 3.86Å; V54-I268 HydrophobicContact CG2-CD1 3.75Å; V54-I268 HydrophobicContact CG2-CG2 4.44Å; V54-F276 HydrophobicContact CG2-CE2 4.22Å
55	T	98.8	Very high	98.2	Very high	56 Å²	56	68.6 Å²	68.6	34%	0.344	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.7	169.8	-65.1	0	0	0	0	109.8	F53 P75 L76 I77	F53-T55 PolarHBondContact O-N 3.47Å; T55-P75 PolarHBondContact N-O 3.38Å; T55-L76 CarbonylContact O-C 3.52Å; T55-L76 WeakPolarHBondContact O-CA 3.38Å; T55-I77 PolarHBondContact O-N 3.17Å
56	F	98.7	Very high	98.3	Very high	106 Å²	106	65.1 Å²	65.1	47%	0.465	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.9	169.8	-68.5	-86.6	0	0	0	109.8	V54 I77 K79 I268	V54-F56 HydrophobicContact CG1-CE2 4.49Å; F56-I77 WeakPolarHBondContact CA-O 3.36Å; F56-I77 HydrophobicContact CD1-CB 3.72Å; F56-I77 HydrophobicContact CD1-CG2 3.72Å; F56-I77 HydrophobicContact CE1-CB 3.76Å; F56-I77 HydrophobicContact CE1-CD1 3.94Å; F56-I77 HydrophobicContact CE1-CG1 4.44Å; F56-I77 HydrophobicContact CE1-CG2 3.65Å; F56-I77 HydrophobicContact CZ-CD1 4.26Å; F56-K79 HydrophobicContact CD1-CD 4.37Å; F56-K79 VanDerWaalsContact CD1-CE 3.4Å; F56-K79 HydrophobicContact CD1-CG 4.17Å; F56-K79 VanDerWaalsContact CE1-CE 3.44Å; F56-K79 HydrophobicContact CE1-CG 4.49Å; F56-I268 HydrophobicContact CZ-CD1 4.03Å
57	M	97.1	Very high	98.3	Very high	29 Å²	29	63.3 Å²	63.3	14%	0.143	32%	0.315	C	S	.	.			trans	-142.3	157.5	-172	-161	-166.1	-49	0	0	111.6	D61 F62 Y66 L76 I77 F78	M57-D61 HydrophobicContact CG-CB 3.98Å; M57-D61 HydrophobicContact SD-CB 3.99Å; M57-F62 HydrophobicContact SD-CB 3.85Å; M57-Y66 HydrophobicContact CE-CD1 4.43Å; M57-Y66 HydrophobicContact CE-CD2 4.17Å; M57-Y66 HydrophobicContact CE-CE1 3.89Å; M57-Y66 HydrophobicContact CE-CE2 3.58Å; M57-Y66 VanDerWaalsContact CE-CZ 3.43Å; M57-Y66 HydrophobicContact SD-CE2 4.46Å; M57-L76 HydrophobicContact CE-CD1 3.79Å; M57-L76 HydrophobicContact CE-CD2 3.8Å; M57-L76 HydrophobicContact CE-CG 4.26Å; M57-I77 PolarHBondContact N-O 3.47Å; M57-F78 HydrophobicContact CB-CD1 4.16Å; M57-F78 HydrophobicContact CB-CE1 3.69Å; M57-F78 HydrophobicContact CB-CZ 4.38Å; M57-F78 HydrophobicContact CE-CZ 4.37Å; M57-F78 HydrophobicContact CG-CE1 4.07Å; M57-F78 VanDerWaalsContact O-CD1 3.29Å; M57-F78 WeakPolarHBondContact O-CD1 3.36Å; M57-F78 HydrophobicContact SD-CE1 3.87Å; M57-F78 HydrophobicContact SD-CZ 4.21Å
58	E	98.4	Very high	98.3	Very high	108 Å²	108	61.1 Å²	61.1	51%	0.505	30%	0.3	S	S	.	.			trans	-89.1	143.5	168	-58.3	-175.7	147.7	0	0	110	K60 D61	E58-K60 VanDerWaalsContact C-N 3.26Å; E58-K60 HydrophobicContact CB-CG 4.2Å; E58-K60 PolarHBondContact O-N 3.03Å; E58-K60 VanDerWaalsContact O-N 3.16Å; E58-K60 WeakPolarHBondContact OE2-CE 3.33Å; E58-K60 IonicContact OE2-NZ 3.85Å; E58-K60 PolarHBondContact OE2-NZ 3.47Å; E58-D61 PolarHBondContact O-N 3.33Å
59	G	98.3	Very high	98.3	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.01	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-60.3	-31.8	-171.6	0	0	0	0	0	114.7	D61 F62 D82	G59-D61 PolarHBondContact O-N 2.88Å; G59-F62 PolarHBondContact O-N 3.11Å; G59-D82 VanDerWaalsContact CA-O 3.29Å; G59-D82 WeakPolarHBondContact CA-O 3.09Å; G59-D82 PolarHBondContact N-O 2.98Å
60	K	97.9	Very high	98.2	Very high	121 Å²	121	66.3 Å²	66.3	53%	0.526	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-62	-25.3	175.8	56.4	154.3	177.1	65.1	0	114.5	E58 N63	E58-K60 VanDerWaalsContact C-N 3.26Å; E58-K60 HydrophobicContact CB-CG 4.2Å; E58-K60 PolarHBondContact O-N 3.03Å; E58-K60 VanDerWaalsContact O-N 3.16Å; E58-K60 WeakPolarHBondContact OE2-CE 3.33Å; E58-K60 IonicContact OE2-NZ 3.85Å; E58-K60 PolarHBondContact OE2-NZ 3.47Å; K60-N63 PolarHBondContact O-ND2 3.15Å
61	D	98.5	Very high	98.2	Very high	67 Å²	67	60.8 Å²	60.8	36%	0.358	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-87.9	-15.6	-177.7	-55.2	-32.9	0	0	0	111.1	M57 E58 G59 N63 Y66	M57-D61 HydrophobicContact CG-CB 3.98Å; M57-D61 HydrophobicContact SD-CB 3.99Å; E58-D61 PolarHBondContact O-N 3.33Å; G59-D61 PolarHBondContact O-N 2.88Å; D61-N63 PolarHBondContact O-N 2.74Å; D61-N63 VanDerWaalsContact O-N 3.16Å; D61-N63 PolarHBondContact O-ND2 3.27Å; D61-Y66 WeakPolarHBondContact O-CB 3.47Å
62	F	98.6	Very high	98.2	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.018	29%	0.292	C	S	.	.			trans	-83.8	84.5	172.8	-175.5	-115.9	0	0	0	110.6	M57 G59 Y66 I67 L72 L76 F78 L84 P160 T162 V163	M57-F62 HydrophobicContact SD-CB 3.85Å; G59-F62 PolarHBondContact O-N 3.11Å; F62-Y66 AromaticContact CD2-CD1 3.95Å; F62-Y66 HydrophobicContact CD2-CD1 3.95Å; F62-Y66 HydrophobicContact CD2-CE1 4.19Å; F62-Y66 HydrophobicContact CE2-CD1 4.34Å; F62-Y66 HydrophobicContact CE2-CE1 4.42Å; F62-I67 HydrophobicContact CD2-CD1 4.5Å; F62-I67 HydrophobicContact CE2-CD1 3.7Å; F62-I67 HydrophobicContact CZ-CD1 4.17Å; F62-L72 HydrophobicContact CE2-CD1 4.16Å; F62-L76 HydrophobicContact CD2-CD1 3.64Å; F62-L76 HydrophobicContact CE2-CD1 3.54Å; F62-F78 HydrophobicContact CB-CE1 3.62Å; F62-F78 HydrophobicContact CB-CZ 3.53Å; F62-F78 HydrophobicContact CD1-CZ 4.1Å; F62-F78 AromaticContact CD2-CZ 3.94Å; F62-F78 HydrophobicContact CD2-CZ 3.94Å; F62-F78 HydrophobicContact CG-CE1 4.21Å; F62-F78 HydrophobicContact CG-CE2 4.44Å; F62-F78 AromaticContact CG-CZ 3.59Å; F62-F78 HydrophobicContact CG-CZ 3.59Å; F62-L84 HydrophobicContact CB-CD2 4.37Å; F62-L84 HydrophobicContact CD1-CD2 4.05Å; F62-P160 HydrophobicContact CE1-CB 4.28Å; F62-T162 HydrophobicContact CD1-CG2 3.96Å; F62-T162 HydrophobicContact CE1-CG2 3.77Å; F62-T162 HydrophobicContact CE2-CG2 4.38Å; F62-T162 HydrophobicContact CG-CG2 4.35Å; F62-T162 HydrophobicContact CZ-CG2 3.99Å; F62-T162 WeakPolarHBondContact O-CB 3.27Å; F62-T162 PolarHBondContact O-OG1 3.39Å; F62-V163 HydrophobicContact CE1-CG2 4.45Å
63	N	98.2	Very high	98.2	Very high	60 Å²	60	56.4 Å²	56.4	32%	0.321	27%	0.267	S	S	.	.	S	Bend	trans	-130.8	176.8	-178.8	58.7	54.3	0	0	0	111.4	K60 D61 E65 Y66 I67 T162	K60-N63 PolarHBondContact O-ND2 3.15Å; D61-N63 PolarHBondContact O-N 2.74Å; D61-N63 VanDerWaalsContact O-N 3.16Å; D61-N63 PolarHBondContact O-ND2 3.27Å; N63-E65 VanDerWaalsContact C-N 3.27Å; N63-E65 PolarHBondContact O-N 2.91Å; N63-E65 WeakPolarHBondContact OD1-CB 3.34Å; N63-E65 PolarHBondContact OD1-N 3.42Å; N63-E65 VanDerWaalsContact OD1-N 3.13Å; N63-Y66 WeakPolarHBondContact O-CB 3.44Å; N63-Y66 PolarHBondContact O-N 3.18Å; N63-Y66 VanDerWaalsContact O-N 3.15Å; N63-Y66 PolarHBondContact OD1-N 2.89Å; N63-Y66 VanDerWaalsContact OD1-N 3.1Å; N63-I67 PolarHBondContact O-N 3.37Å; N63-T162 WeakPolarHBondContact CA-OG1 3.49Å
64	V	97.9	Very high	98.2	Very high	41 Å²	41	57.8 Å²	57.8	25%	0.248	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-32.2	-177	-178.6	0	0	0	0	112.5	Y66 I67 Q68 F165	V64-Y66 PolarHBondContact O-N 3.39Å; V64-I67 PolarHBondContact O-N 2.97Å; V64-Q68 HydrophobicContact CG1-CG 4.28Å; V64-Q68 WeakPolarHBondContact O-CG 3.45Å; V64-Q68 PolarHBondContact O-N 2.83Å; V64-F165 HydrophobicContact CG2-CB 3.59Å; V64-F165 HydrophobicContact CG2-CD1 4.25Å; V64-F165 HydrophobicContact CG2-CD2 4.17Å; V64-F165 HydrophobicContact CG2-CG 3.77Å
65	E	97.9	Very high	98.2	Very high	110 Å²	110	57 Å²	57	51%	0.514	27%	0.271	S	S	.	.	H	α-helix	trans	-65.6	-39.5	176.4	-167	-170.1	168.9	0	0	111.4	N63 I67 Q68 R69	N63-E65 VanDerWaalsContact C-N 3.27Å; N63-E65 PolarHBondContact O-N 2.91Å; N63-E65 WeakPolarHBondContact OD1-CB 3.34Å; N63-E65 PolarHBondContact OD1-N 3.42Å; N63-E65 VanDerWaalsContact OD1-N 3.13Å; E65-I67 VanDerWaalsContact C-N 3.32Å; E65-I67 PolarHBondContact O-N 3.24Å; E65-Q68 PolarHBondContact O-N 3.27Å; E65-R69 VanDerWaalsContact O-CB 3.28Å; E65-R69 WeakPolarHBondContact O-CB 3.13Å; E65-R69 PolarHBondContact O-N 2.93Å; E65-R69 IonicContact OE1-CZ 3.07Å; E65-R69 IonicContact OE1-NH2 3.26Å; E65-R69 PolarHBondContact OE1-NH2 3.49Å
66	Y	98.6	Very high	98.2	Very high	54 Å²	54	54.3 Å²	54.3	21%	0.212	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-44.5	171.7	173.2	-90.8	0	0	0	111.5	M57 D61 F62 N63 V64 R69 G70 L76	M57-Y66 HydrophobicContact CE-CD1 4.43Å; M57-Y66 HydrophobicContact CE-CD2 4.17Å; M57-Y66 HydrophobicContact CE-CE1 3.89Å; M57-Y66 HydrophobicContact CE-CE2 3.58Å; M57-Y66 VanDerWaalsContact CE-CZ 3.43Å; M57-Y66 HydrophobicContact SD-CE2 4.46Å; D61-Y66 WeakPolarHBondContact O-CB 3.47Å; F62-Y66 AromaticContact CD2-CD1 3.95Å; F62-Y66 HydrophobicContact CD2-CD1 3.95Å; F62-Y66 HydrophobicContact CD2-CE1 4.19Å; F62-Y66 HydrophobicContact CE2-CD1 4.34Å; F62-Y66 HydrophobicContact CE2-CE1 4.42Å; N63-Y66 WeakPolarHBondContact O-CB 3.44Å; N63-Y66 PolarHBondContact O-N 3.18Å; N63-Y66 VanDerWaalsContact O-N 3.15Å; N63-Y66 PolarHBondContact OD1-N 2.89Å; N63-Y66 VanDerWaalsContact OD1-N 3.1Å; V64-Y66 PolarHBondContact O-N 3.39Å; Y66-R69 PolarHBondContact O-N 3.14Å; Y66-G70 PolarHBondContact O-N 2.89Å; Y66-L76 HydrophobicContact CE1-CD1 3.92Å; Y66-L76 VanDerWaalsContact OH-CD2 3.24Å; Y66-L76 WeakPolarHBondContact OH-CD2 3.4Å
67	I	98.4	Very high	98.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-44	177.2	-53.4	-67.9	0	0	0	111.3	F62 N63 V64 E65 R69 G71 L72 T162 I166 F303	F62-I67 HydrophobicContact CD2-CD1 4.5Å; F62-I67 HydrophobicContact CE2-CD1 3.7Å; F62-I67 HydrophobicContact CZ-CD1 4.17Å; N63-I67 PolarHBondContact O-N 3.37Å; V64-I67 PolarHBondContact O-N 2.97Å; E65-I67 VanDerWaalsContact C-N 3.32Å; E65-I67 PolarHBondContact O-N 3.24Å; I67-R69 VanDerWaalsContact C-N 3.28Å; I67-R69 PolarHBondContact O-N 3.03Å; I67-G71 WeakPolarHBondContact O-CA 3.5Å; I67-G71 PolarHBondContact O-N 3.49Å; I67-L72 HydrophobicContact CD1-CB 3.92Å; I67-L72 HydrophobicContact CD1-CD1 4.09Å; I67-L72 HydrophobicContact CD1-CD2 4.29Å; I67-L72 HydrophobicContact CD1-CG 4.33Å; I67-T162 HydrophobicContact CD1-CG2 4.41Å; I67-T162 HydrophobicContact CG1-CG2 3.99Å; I67-I166 HydrophobicContact CD1-CD1 4.07Å; I67-I166 HydrophobicContact CG1-CD1 4.16Å; I67-I166 HydrophobicContact CG2-CD1 4.24Å; I67-F303 HydrophobicContact CG2-CB 4.2Å; I67-F303 HydrophobicContact CG2-CD1 4.38Å; I67-F303 HydrophobicContact CG2-CD2 3.4Å; I67-F303 HydrophobicContact CG2-CE2 3.79Å; I67-F303 HydrophobicContact CG2-CG 3.73Å; I67-F303 HydrophobicContact CG2-CZ 4.43Å
68	Q	97.2	Very high	98.3	Very high	89 Å²	89	48 Å²	48	42%	0.416	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-35.3	177.4	-74	171	-30.3	0	0	112.4	V64 E65 F303 T454	V64-Q68 HydrophobicContact CG1-CG 4.28Å; V64-Q68 WeakPolarHBondContact O-CG 3.45Å; V64-Q68 PolarHBondContact O-N 2.83Å; E65-Q68 PolarHBondContact O-N 3.27Å; Q68-F303 HydrophobicContact CB-CE1 4.46Å; Q68-F303 HydrophobicContact CG-CE1 3.8Å; Q68-F303 HydrophobicContact CG-CZ 3.95Å; Q68-T454 HydrophobicContact CB-CG2 3.85Å; Q68-T454 HydrophobicContact CG-CG2 4.08Å
69	R	98	Very high	98.3	Very high	184 Å²	184	48.4 Å²	48.4	69%	0.694	23%	0.226	S	C	*	.	H	α-helix	trans	-80.8	-44.4	-178.2	-167.5	-176.9	-63.5	179.3	-0.4	113.2	E65 Y66 I67	E65-R69 VanDerWaalsContact O-CB 3.28Å; E65-R69 WeakPolarHBondContact O-CB 3.13Å; E65-R69 PolarHBondContact O-N 2.93Å; E65-R69 IonicContact OE1-CZ 3.07Å; E65-R69 IonicContact OE1-NH2 3.26Å; E65-R69 PolarHBondContact OE1-NH2 3.49Å; Y66-R69 PolarHBondContact O-N 3.14Å; I67-R69 VanDerWaalsContact C-N 3.28Å; I67-R69 PolarHBondContact O-N 3.03Å
70	G	97.4	Very high	98.2	Very high	27 Å²	27	51.5 Å²	51.5	28%	0.278	24%	0.243	S	C	.	.	H	α-helix	trans	-104	-6.6	-174.9	0	0	0	0	0	115.3	Y66 L72 R73	Y66-G70 PolarHBondContact O-N 2.89Å; G70-L72 PolarHBondContact O-N 2.64Å; G70-L72 VanDerWaalsContact O-N 3.12Å; G70-R73 WeakPolarHBondContact O-CG 3.42Å
71	G	98	Very high	98.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.236	C	C	.	.			trans	70.7	-0.9	179.8	0	0	0	0	0	115.4	I67 R73 H301	I67-G71 WeakPolarHBondContact O-CA 3.5Å; I67-G71 PolarHBondContact O-N 3.49Å; G71-R73 PolarHBondContact O-NH1 3.04Å; G71-H301 PolarHBondContact O-CE1 2.88Å
72	L	98.6	Very high	98.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	53.8	75.6	-160.4	-170.1	64.1	0	0	0	110.6	F62 I67 G70 L76 V277 F299	F62-L72 HydrophobicContact CE2-CD1 4.16Å; I67-L72 HydrophobicContact CD1-CB 3.92Å; I67-L72 HydrophobicContact CD1-CD1 4.09Å; I67-L72 HydrophobicContact CD1-CD2 4.29Å; I67-L72 HydrophobicContact CD1-CG 4.33Å; G70-L72 PolarHBondContact O-N 2.64Å; G70-L72 VanDerWaalsContact O-N 3.12Å; L72-L76 HydrophobicContact CD1-CD1 3.84Å; L72-L76 HydrophobicContact CD1-CG 4.49Å; L72-V277 HydrophobicContact CD1-CG1 4.06Å; L72-V277 HydrophobicContact CD2-CG1 4.36Å; L72-F299 HydrophobicContact CD2-CE2 4.03Å; L72-F299 HydrophobicContact CD2-CZ 3.99Å
73	R	98.6	Very high	98.1	Very high	68 Å²	68	52.9 Å²	52.9	26%	0.257	27%	0.274	S	S	.	.			trans	-111.3	-27.6	179.3	-69.1	-66.6	-176.4	-75.8	-2.2	114.1	G70 G71 P279 W282 F303 N304 F456	G70-R73 WeakPolarHBondContact O-CG 3.42Å; G71-R73 PolarHBondContact O-NH1 3.04Å; R73-P279 WeakPolarHBondContact O-CG 3.34Å; R73-W282 PolarHBondContact O-NE1 3.21Å; R73-W282 VanDerWaalsContact O-NE1 3.08Å; R73-F303 VanDerWaalsContact CZ-O 3.28Å; R73-F303 PolarHBondContact NH1-O 3.38Å; R73-F303 PolarHBondContact NH2-O 3.46Å; R73-N304 VanDerWaalsContact NH1-CB 3.27Å; R73-N304 PolarHBondContact NH1-ND2 3Å; R73-N304 PolarHBondContact NH1-OD1 2.71Å; R73-N304 PolarHBondContact NH2-OD1 3.49Å; R73-F456 VanDerWaalsContact NH2-CD1 3.34Å
74	D	98.7	Very high	98.2	Very high	72 Å²	72	50.3 Å²	50.3	39%	0.385	26%	0.26	S	S	.	.	S	Bend	trans	-99.7	140.5	-177.1	-51	-61.5	0	0	0	111.7	L76 P279	D74-L76 HydrophobicContact CB-CD2 4.38Å; D74-L76 WeakPolarHBondContact O-CD2 3.32Å; D74-L76 WeakPolarHBondContact O-CG 3.22Å; D74-P279 VanDerWaalsContact C-CG 3.4Å; D74-P279 VanDerWaalsContact O-CG 3.29Å; D74-P279 WeakPolarHBondContact O-CG 3.4Å
75	P	98.9	Very high	98.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.272	C	S	.	.			trans	-68.5	138.2	172.5	-17	31.3	0	0	0	111.6	V54 T55 L233 F276 V277 W282	V54-P75 CarbonylContact C-O 3.48Å; V54-P75 WeakPolarHBondContact CA-O 3.39Å; V54-P75 HydrophobicContact CG2-CB 4.08Å; T55-P75 PolarHBondContact N-O 3.38Å; P75-L233 HydrophobicContact CB-CD1 4.42Å; P75-F276 HydrophobicContact CB-CE2 3.81Å; P75-F276 HydrophobicContact CB-CZ 4.06Å; P75-V277 CarbonylContact C-O 3.51Å; P75-V277 VanDerWaalsContact CA-O 3.3Å; P75-V277 WeakPolarHBondContact CA-O 3.39Å; P75-W282 VanDerWaalsContact CD-CZ2 3.46Å; P75-W282 HydrophobicContact CG-CD2 3.73Å; P75-W282 HydrophobicContact CG-CE3 3.83Å; P75-W282 HydrophobicContact CG-CG 4.47Å; P75-W282 HydrophobicContact CG-CH2 3.86Å; P75-W282 HydrophobicContact CG-CZ2 3.72Å; P75-W282 HydrophobicContact CG-CZ3 3.9Å
76	L	98.9	Very high	98.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.3	-168.8	-43.3	176.4	0	0	0	111.4	T55 M57 F62 Y66 L72 D74 F78 F276 V277	T55-L76 CarbonylContact O-C 3.52Å; T55-L76 WeakPolarHBondContact O-CA 3.38Å; M57-L76 HydrophobicContact CE-CD1 3.79Å; M57-L76 HydrophobicContact CE-CD2 3.8Å; M57-L76 HydrophobicContact CE-CG 4.26Å; F62-L76 HydrophobicContact CD2-CD1 3.64Å; F62-L76 HydrophobicContact CE2-CD1 3.54Å; Y66-L76 HydrophobicContact CE1-CD1 3.92Å; Y66-L76 VanDerWaalsContact OH-CD2 3.24Å; Y66-L76 WeakPolarHBondContact OH-CD2 3.4Å; L72-L76 HydrophobicContact CD1-CD1 3.84Å; L72-L76 HydrophobicContact CD1-CG 4.49Å; D74-L76 HydrophobicContact CB-CD2 4.38Å; D74-L76 WeakPolarHBondContact O-CD2 3.32Å; D74-L76 WeakPolarHBondContact O-CG 3.22Å; L76-F78 HydrophobicContact CB-CE2 3.84Å; L76-F78 HydrophobicContact CB-CZ 4.06Å; L76-F78 HydrophobicContact CD1-CE2 4.42Å; L76-F78 HydrophobicContact CD1-CZ 4.13Å; L76-F276 CarbonylContact O-C 3.54Å; L76-F276 VanDerWaalsContact O-CA 3.3Å; L76-F276 WeakPolarHBondContact O-CA 3.48Å; L76-F276 VanDerWaalsContact O-CD2 3.26Å; L76-F276 WeakPolarHBondContact O-CD2 3.41Å; L76-V277 HydrophobicContact CB-CB 4.15Å; L76-V277 HydrophobicContact CD1-CB 4.37Å; L76-V277 HydrophobicContact CG-CB 4.36Å; L76-V277 PolarHBondContact N-O 2.9Å; L76-V277 PolarHBondContact O-N 2.6Å
77	I	98.9	Very high	98.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.5	167.1	-69.3	176.2	0	0	0	110.8	V54 T55 F56 M57 K79 I268 L270 Y274 T275 F276	V54-I77 HydrophobicContact CG1-CB 4.07Å; V54-I77 HydrophobicContact CG1-CD1 3.76Å; V54-I77 HydrophobicContact CG1-CG1 3.66Å; T55-I77 PolarHBondContact O-N 3.17Å; F56-I77 WeakPolarHBondContact CA-O 3.36Å; F56-I77 HydrophobicContact CD1-CB 3.72Å; F56-I77 HydrophobicContact CD1-CG2 3.72Å; F56-I77 HydrophobicContact CE1-CB 3.76Å; F56-I77 HydrophobicContact CE1-CD1 3.94Å; F56-I77 HydrophobicContact CE1-CG1 4.44Å; F56-I77 HydrophobicContact CE1-CG2 3.65Å; F56-I77 HydrophobicContact CZ-CD1 4.26Å; M57-I77 PolarHBondContact N-O 3.47Å; I77-K79 HydrophobicContact CG2-CG 4.27Å; I77-I268 HydrophobicContact CD1-CD1 3.44Å; I77-I268 VanDerWaalsContact CD1-CD1 3.44Å; I77-I268 HydrophobicContact CD1-CG1 4.02Å; I77-L270 HydrophobicContact CD1-CD2 3.34Å; I77-L270 HydrophobicContact CG1-CD2 3.85Å; I77-Y274 HydrophobicContact CG2-CD2 3.65Å; I77-Y274 HydrophobicContact CG2-CE2 4.08Å; I77-Y274 HydrophobicContact CG2-CG 4.27Å; I77-T275 WeakPolarHBondContact CA-O 3.46Å; I77-F276 HydrophobicContact CD1-CD2 4.28Å; I77-F276 HydrophobicContact CG1-CD2 3.47Å; I77-F276 VanDerWaalsContact CG1-CD2 3.47Å; I77-F276 HydrophobicContact CG1-CE2 4.05Å; I77-F276 HydrophobicContact CG1-CG 4.33Å
78	F	98.9	Very high	98.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.6	166.1	-51.6	-86.1	0	0	0	107.8	M57 F62 L76 N80 L84 Y274 T275 V277	M57-F78 HydrophobicContact CB-CD1 4.16Å; M57-F78 HydrophobicContact CB-CE1 3.69Å; M57-F78 HydrophobicContact CB-CZ 4.38Å; M57-F78 HydrophobicContact CE-CZ 4.37Å; M57-F78 HydrophobicContact CG-CE1 4.07Å; M57-F78 VanDerWaalsContact O-CD1 3.29Å; M57-F78 WeakPolarHBondContact O-CD1 3.36Å; M57-F78 HydrophobicContact SD-CE1 3.87Å; M57-F78 HydrophobicContact SD-CZ 4.21Å; F62-F78 HydrophobicContact CB-CE1 3.62Å; F62-F78 HydrophobicContact CB-CZ 3.53Å; F62-F78 HydrophobicContact CD1-CZ 4.1Å; F62-F78 AromaticContact CD2-CZ 3.94Å; F62-F78 HydrophobicContact CD2-CZ 3.94Å; F62-F78 HydrophobicContact CG-CE1 4.21Å; F62-F78 HydrophobicContact CG-CE2 4.44Å; F62-F78 AromaticContact CG-CZ 3.59Å; F62-F78 HydrophobicContact CG-CZ 3.59Å; L76-F78 HydrophobicContact CB-CE2 3.84Å; L76-F78 HydrophobicContact CB-CZ 4.06Å; L76-F78 HydrophobicContact CD1-CE2 4.42Å; L76-F78 HydrophobicContact CD1-CZ 4.13Å; F78-N80 VanDerWaalsContact C-N 3.32Å; F78-N80 WeakPolarHBondContact CB-O 3.3Å; F78-L84 HydrophobicContact CB-CD1 3.88Å; F78-L84 HydrophobicContact CD1-CD1 4.48Å; F78-L84 HydrophobicContact CD1-CD2 3.83Å; F78-L84 HydrophobicContact CD1-CG 4.41Å; F78-L84 HydrophobicContact CD2-CD1 4.07Å; F78-L84 HydrophobicContact CD2-CD2 4.05Å; F78-L84 HydrophobicContact CE1-CD2 3.88Å; F78-L84 HydrophobicContact CE2-CD2 4.12Å; F78-L84 HydrophobicContact CG-CD1 3.87Å; F78-L84 HydrophobicContact CG-CD2 3.92Å; F78-L84 HydrophobicContact CG-CG 4.28Å; F78-L84 HydrophobicContact CZ-CD2 4.04Å; F78-Y274 WeakPolarHBondContact O-CA 3.19Å; F78-T275 PolarHBondContact N-O 3.45Å; F78-T275 PolarHBondContact O-N 3.24Å; F78-V277 HydrophobicContact CE2-CG2 4Å
79	K	98.5	Very high	98.3	Very high	118 Å²	118	47.4 Å²	47.4	51%	0.513	26%	0.259	S	S	.	.	S	Bend	trans	-77.3	-21.8	-177.7	-64.4	-172.8	176.5	175.7	0	113	F56 I77 Y274	F56-K79 HydrophobicContact CD1-CD 4.37Å; F56-K79 VanDerWaalsContact CD1-CE 3.4Å; F56-K79 HydrophobicContact CD1-CG 4.17Å; F56-K79 VanDerWaalsContact CE1-CE 3.44Å; F56-K79 HydrophobicContact CE1-CG 4.49Å; I77-K79 HydrophobicContact CG2-CG 4.27Å; K79-Y274 HydrophobicContact CB-CD1 4.3Å; K79-Y274 HydrophobicContact CB-CE1 3.81Å; K79-Y274 HydrophobicContact CG-CE1 3.97Å; K79-Y274 HydrophobicContact CG-CE2 4.1Å; K79-Y274 WeakPolarHBondContact O-CD1 3.32Å
80	N	96.1	Very high	98.2	Very high	66 Å²	66	43.6 Å²	43.6	35%	0.353	25%	0.253	S	S	.	.	S	Bend	trans	-122.6	164.6	170.2	58	-1.9	0	0	0	109.4	F78 D82	F78-N80 VanDerWaalsContact C-N 3.32Å; F78-N80 WeakPolarHBondContact CB-O 3.3Å; N80-D82 PolarHBondContact ND2-OD2 3.18Å
81	S	97.4	Very high	98.3	Very high	54 Å²	54	46.1 Å²	46.1	38%	0.378	26%	0.264	S	S	.	.			trans	-87.5	-7.6	175.8	48.6	0	0	0	0	113.5	G83 L84	S81-G83 PolarHBondContact O-N 3.01Å; S81-L84 WeakPolarHBondContact O-CB 3.34Å; S81-L84 PolarHBondContact O-N 3.5Å; S81-L84 VanDerWaalsContact O-N 3.16Å
82	D	98.2	Very high	98.2	Very high	108 Å²	108	52.6 Å²	52.6	58%	0.578	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	128.7	-173	-58.7	-43.4	0	0	0	112	G59 N80 L84	G59-D82 VanDerWaalsContact CA-O 3.29Å; G59-D82 WeakPolarHBondContact CA-O 3.09Å; G59-D82 PolarHBondContact N-O 2.98Å; N80-D82 PolarHBondContact ND2-OD2 3.18Å; D82-L84 PolarHBondContact O-N 2.86Å
83	G	97.8	Very high	98.2	Very high	59 Å²	59	53.4 Å²	53.4	61%	0.608	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-11.1	-179.5	0	0	0	0	0	115.6	S81 G85	S81-G83 PolarHBondContact O-N 3.01Å; G83-G85 VanDerWaalsContact C-N 3.34Å
84	L	98.4	Very high	98.2	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.026	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-24.7	175.9	-70.2	178.4	0	0	0	113.6	F62 F78 S81 D82 I86 P160 S161 T275	F62-L84 HydrophobicContact CB-CD2 4.37Å; F62-L84 HydrophobicContact CD1-CD2 4.05Å; F78-L84 HydrophobicContact CB-CD1 3.88Å; F78-L84 HydrophobicContact CD1-CD1 4.48Å; F78-L84 HydrophobicContact CD1-CD2 3.83Å; F78-L84 HydrophobicContact CD1-CG 4.41Å; F78-L84 HydrophobicContact CD2-CD1 4.07Å; F78-L84 HydrophobicContact CD2-CD2 4.05Å; F78-L84 HydrophobicContact CE1-CD2 3.88Å; F78-L84 HydrophobicContact CE2-CD2 4.12Å; F78-L84 HydrophobicContact CG-CD1 3.87Å; F78-L84 HydrophobicContact CG-CD2 3.92Å; F78-L84 HydrophobicContact CG-CG 4.28Å; F78-L84 HydrophobicContact CZ-CD2 4.04Å; S81-L84 WeakPolarHBondContact O-CB 3.34Å; S81-L84 PolarHBondContact O-N 3.5Å; S81-L84 VanDerWaalsContact O-N 3.16Å; D82-L84 PolarHBondContact O-N 2.86Å; L84-I86 VanDerWaalsContact C-N 3.28Å; L84-I86 HydrophobicContact CB-CG2 4.12Å; L84-I86 PolarHBondContact O-N 3.32Å; L84-P160 HydrophobicContact CB-CB 4.24Å; L84-P160 HydrophobicContact CD2-CB 4.28Å; L84-P160 CarbonylContact O-C 3.56Å; L84-P160 WeakPolarHBondContact O-CA 3.38Å; L84-S161 PolarHBondContact O-N 2.96Å; L84-T275 HydrophobicContact CD1-CG2 4Å
85	G	98.2	Very high	98.2	Very high	48 Å²	48	49.7 Å²	49.7	50%	0.495	29%	0.29	S	S	.	.			trans	76.4	9.6	-174.4	0	0	0	0	0	114.9	G83	G83-G85 VanDerWaalsContact C-N 3.34Å
86	I	98.4	Very high	98.2	Very high	30 Å²	30	52 Å²	52	15%	0.154	30%	0.302	C	S	.	.			trans	-64.7	152.1	175.6	64	170.3	0	0	0	111.9	L84 M88 Q158 P160 H223	L84-I86 VanDerWaalsContact C-N 3.28Å; L84-I86 HydrophobicContact CB-CG2 4.12Å; L84-I86 PolarHBondContact O-N 3.32Å; I86-M88 HydrophobicContact CB-CE 4.38Å; I86-M88 HydrophobicContact CD1-CE 4.25Å; I86-M88 HydrophobicContact CD1-CG 4.46Å; I86-Q158 WeakPolarHBondContact CA-O 3.05Å; I86-Q158 WeakPolarHBondContact CB-O 3.25Å; I86-P160 HydrophobicContact CG2-CB 4.15Å; I86-P160 HydrophobicContact CG2-CG 3.65Å; I86-H223 WeakPolarHBondContact CD1-ND1 3.49Å
87	K	98.5	Very high	98.2	Very high	109 Å²	109	54.5 Å²	54.5	47%	0.474	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-126.6	138.6	167.2	-174.3	-170.2	173.8	-171	0	107.9	N155 V157 Q158	K87-N155 PolarHBondContact NZ-O 3.4Å; K87-V157 CarbonylContact O-C 3.54Å; K87-V157 WeakPolarHBondContact O-CA 3.34Å; K87-Q158 HydrophobicContact CB-CB 3.8Å; K87-Q158 HydrophobicContact CB-CG 3.91Å; K87-Q158 HydrophobicContact CD-CG 4.36Å; K87-Q158 PolarHBondContact N-O 3.32Å; K87-Q158 VanDerWaalsContact N-O 3.07Å; K87-Q158 PolarHBondContact O-N 2.74Å
88	M	98.6	Very high	98.2	Very high	37 Å²	37	54.5 Å²	54.5	18%	0.182	32%	0.315	C	S	.	.			trans	-129.3	161.5	178.1	-69.2	-64.4	152.3	0	0	110.5	I86 M156 V157 W221 H223 F295	I86-M88 HydrophobicContact CB-CE 4.38Å; I86-M88 HydrophobicContact CD1-CE 4.25Å; I86-M88 HydrophobicContact CD1-CG 4.46Å; M88-M156 CarbonylContact C-O 3.42Å; M88-V157 HydrophobicContact CE-CG1 4.02Å; M88-V157 HydrophobicContact SD-CG1 4.1Å; M88-W221 HydrophobicContact CE-CH2 4.01Å; M88-W221 HydrophobicContact CE-CZ3 3.71Å; M88-H223 HydrophobicContact CE-CB 3.78Å; M88-F295 HydrophobicContact CE-CB 4.18Å; M88-F295 HydrophobicContact SD-CB 3.83Å; M88-F295 HydrophobicContact SD-CD2 3.72Å; M88-F295 HydrophobicContact SD-CG 4.11Å
89	P	98.5	Very high	98.2	Very high	10 Å²	10	55.9 Å²	55.9	7%	0.065	32%	0.322	C	S	.	.			trans	-61.2	168.2	166.7	-20.6	35.7	0	0	0	111.4	F93 L153 M156 V157 H225 F295	P89-F93 HydrophobicContact CB-CB 3.75Å; P89-F93 HydrophobicContact CB-CD1 3.87Å; P89-F93 HydrophobicContact CB-CD2 3.78Å; P89-F93 HydrophobicContact CB-CE1 4.4Å; P89-F93 HydrophobicContact CB-CE2 4.32Å; P89-F93 HydrophobicContact CB-CG 3.54Å; P89-F93 HydrophobicContact CG-CD1 4.1Å; P89-F93 HydrophobicContact CG-CE1 4.31Å; P89-F93 HydrophobicContact CG-CG 4.28Å; P89-L153 HydrophobicContact CG-CD1 4.34Å; P89-M156 HydrophobicContact CB-CE 4.1Å; P89-M156 HydrophobicContact CG-CB 4.25Å; P89-V157 HydrophobicContact CG-CG2 4.13Å; P89-H225 PolarHBondContact O-NE2 2.82Å; P89-H225 VanDerWaalsContact O-NE2 3.12Å; P89-F295 HydrophobicContact CG-CD2 4.41Å; P89-F295 HydrophobicContact CG-CE2 3.65Å; P89-F295 HydrophobicContact CG-CZ 3.87Å
90	D	97.9	Very high	98.2	Very high	104 Å²	104	55.2 Å²	55.2	56%	0.556	32%	0.321	S	S	*	.			trans	-48.5	141.8	172.1	-170	-83.3	0	0	0	111.8	D92 F93 H225	D90-D92 PolarHBondContact O-N 3.22Å; D90-D92 VanDerWaalsContact O-N 3.13Å; D90-D92 PolarHBondContact OD1-N 3.35Å; D90-F93 WeakPolarHBondContact O-CB 3.36Å; D90-F93 PolarHBondContact O-N 3.13Å; D90-H225 PolarHBondContact O-CE1 3.41Å; D90-H225 PolarHBondContact O-NE2 3.44Å
91	P	97.8	Very high	98.3	Very high	80 Å²	80	53 Å²	53	52%	0.519	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.4	-179.1	-28.4	37	0	0	0	115.1	F93 H225 Q226	P91-F93 VanDerWaalsContact C-N 3.3Å; P91-F93 PolarHBondContact O-N 2.94Å; P91-H225 PolarHBondContact O-CE1 3.32Å; P91-Q226 PolarHBondContact O-NE2 3.16Å
92	D	97.4	Very high	98.3	Very high	135 Å²	135	51 Å²	51	72%	0.722	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	5.3	-179.1	-64.6	-22.9	0	0	0	113.1	D90 T94	D90-D92 PolarHBondContact O-N 3.22Å; D90-D92 VanDerWaalsContact O-N 3.13Å; D90-D92 PolarHBondContact OD1-N 3.35Å; D92-T94 WeakPolarHBondContact O-CG2 3.39Å; D92-T94 PolarHBondContact O-N 2.8Å
93	F	98.6	Very high	98.3	Very high	17 Å²	17	47.4 Å²	47.4	8%	0.075	29%	0.285	C	S	.	.			trans	-63.9	122.2	-175	-172.4	-95.3	0	0	0	113.3	P89 D90 P91 D97 V98 L153 M156 Q226 L293 F295	P89-F93 HydrophobicContact CB-CB 3.75Å; P89-F93 HydrophobicContact CB-CD1 3.87Å; P89-F93 HydrophobicContact CB-CD2 3.78Å; P89-F93 HydrophobicContact CB-CE1 4.4Å; P89-F93 HydrophobicContact CB-CE2 4.32Å; P89-F93 HydrophobicContact CB-CG 3.54Å; P89-F93 HydrophobicContact CG-CD1 4.1Å; P89-F93 HydrophobicContact CG-CE1 4.31Å; P89-F93 HydrophobicContact CG-CG 4.28Å; D90-F93 WeakPolarHBondContact O-CB 3.36Å; D90-F93 PolarHBondContact O-N 3.13Å; P91-F93 VanDerWaalsContact C-N 3.3Å; P91-F93 PolarHBondContact O-N 2.94Å; F93-D97 HydrophobicContact CD1-CB 4.31Å; F93-D97 HydrophobicContact CD2-CB 3.64Å; F93-D97 HydrophobicContact CE1-CB 4.06Å; F93-D97 HydrophobicContact CE2-CB 3.34Å; F93-D97 HydrophobicContact CG-CB 4.11Å; F93-D97 HydrophobicContact CZ-CB 3.56Å; F93-V98 HydrophobicContact CD1-CG2 4.35Å; F93-V98 HydrophobicContact CE1-CG2 3.67Å; F93-L153 HydrophobicContact CE1-CD1 3.8Å; F93-L153 HydrophobicContact CZ-CD1 3.57Å; F93-M156 HydrophobicContact CD2-CE 4.16Å; F93-M156 HydrophobicContact CE2-CE 3.68Å; F93-M156 HydrophobicContact CE2-SD 4.32Å; F93-M156 HydrophobicContact CZ-CE 4.38Å; F93-Q226 PolarHBondContact O-NE2 3.21Å; F93-L293 HydrophobicContact CD1-CD2 4.28Å; F93-L293 WeakPolarHBondContact O-CD2 3.08Å; F93-F295 HydrophobicContact CD1-CZ 4.24Å; F93-F295 HydrophobicContact CE1-CZ 4.18Å
94	T	98.7	Very high	98.4	Very high	56 Å²	56	47 Å²	47	34%	0.344	27%	0.272	S	S	.	.			trans	-99.8	170	-168.2	70.6	0	0	0	0	114.3	D92 N96 D97 V98	D92-T94 WeakPolarHBondContact O-CG2 3.39Å; D92-T94 PolarHBondContact O-N 2.8Å; T94-N96 PolarHBondContact O-N 3.04Å; T94-N96 WeakPolarHBondContact OG1-CB 3.26Å; T94-N96 PolarHBondContact OG1-N 2.81Å; T94-D97 WeakPolarHBondContact CB-OD2 3.37Å; T94-D97 PolarHBondContact N-OD2 2.79Å; T94-D97 WeakPolarHBondContact O-CB 3.34Å; T94-D97 PolarHBondContact O-N 3.04Å; T94-D97 VanDerWaalsContact OG1-CG 3.3Å; T94-D97 PolarHBondContact OG1-N 2.87Å; T94-D97 PolarHBondContact OG1-OD2 2.93Å; T94-V98 PolarHBondContact O-N 3.22Å
95	V	98.7	Very high	98.3	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.042	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-32.4	167.9	172.6	0	0	0	0	111.9	D97 V98 K99 T127 Y130 M202	V95-D97 VanDerWaalsContact C-N 3.31Å; V95-D97 PolarHBondContact O-N 2.89Å; V95-V98 WeakPolarHBondContact O-CB 3.13Å; V95-V98 PolarHBondContact O-N 3.15Å; V95-K99 PolarHBondContact O-N 2.86Å; V95-T127 HydrophobicContact CG1-CG2 4.3Å; V95-Y130 HydrophobicContact CB-CD1 4.06Å; V95-Y130 HydrophobicContact CB-CE1 4.42Å; V95-Y130 HydrophobicContact CB-CG 4.31Å; V95-Y130 HydrophobicContact CG1-CD1 4.47Å; V95-Y130 HydrophobicContact CG1-CG 4.24Å; V95-Y130 HydrophobicContact CG2-CD1 3.62Å; V95-Y130 HydrophobicContact CG2-CD2 4.08Å; V95-Y130 HydrophobicContact CG2-CE1 3.56Å; V95-Y130 HydrophobicContact CG2-CE2 4.02Å; V95-Y130 HydrophobicContact CG2-CG 3.87Å; V95-M202 HydrophobicContact CB-SD 4.31Å; V95-M202 HydrophobicContact CG1-SD 3.74Å; V95-M202 HydrophobicContact CG2-CB 4.34Å; V95-M202 HydrophobicContact CG2-CG 3.98Å; V95-M202 HydrophobicContact CG2-SD 3.96Å
96	N	98.7	Very high	98.3	Very high	49 Å²	49	56.3 Å²	56.3	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-37.1	171.9	170.7	80.2	0	0	0	111.8	T94 K99 M100 T127	T94-N96 PolarHBondContact O-N 3.04Å; T94-N96 WeakPolarHBondContact OG1-CB 3.26Å; T94-N96 PolarHBondContact OG1-N 2.81Å; N96-K99 WeakPolarHBondContact O-CB 3.26Å; N96-K99 PolarHBondContact O-N 2.99Å; N96-K99 WeakPolarHBondContact OD1-CE 3.46Å; N96-K99 PolarHBondContact OD1-NZ 2.84Å; N96-M100 VanDerWaalsContact O-CG 3.3Å; N96-M100 WeakPolarHBondContact O-CG 3.46Å; N96-M100 PolarHBondContact O-N 2.84Å; N96-T127 HydrophobicContact CB-CG2 3.95Å
97	D	98.7	Very high	98.3	Very high	52 Å²	52	59.4 Å²	59.4	28%	0.278	31%	0.307	S	S	.	.	H	α-helix	trans	-73.3	-35.8	177.5	-54.5	-54.4	0	0	0	111.9	F93 T94 V95 K99 M100 C101	F93-D97 HydrophobicContact CD1-CB 4.31Å; F93-D97 HydrophobicContact CD2-CB 3.64Å; F93-D97 HydrophobicContact CE1-CB 4.06Å; F93-D97 HydrophobicContact CE2-CB 3.34Å; F93-D97 HydrophobicContact CG-CB 4.11Å; F93-D97 HydrophobicContact CZ-CB 3.56Å; T94-D97 WeakPolarHBondContact CB-OD2 3.37Å; T94-D97 PolarHBondContact N-OD2 2.79Å; T94-D97 WeakPolarHBondContact O-CB 3.34Å; T94-D97 PolarHBondContact O-N 3.04Å; T94-D97 VanDerWaalsContact OG1-CG 3.3Å; T94-D97 PolarHBondContact OG1-N 2.87Å; T94-D97 PolarHBondContact OG1-OD2 2.93Å; V95-D97 VanDerWaalsContact C-N 3.31Å; V95-D97 PolarHBondContact O-N 2.89Å; D97-K99 VanDerWaalsContact C-N 3.34Å; D97-K99 PolarHBondContact O-N 3.13Å; D97-M100 PolarHBondContact O-N 2.92Å; D97-M100 VanDerWaalsContact O-N 3.13Å; D97-C101 PolarHBondContact O-N 3.15Å
98	V	98.8	Very high	98.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-53.5	-52.4	166.7	179.2	0	0	0	0	109.8	F93 T94 V95 M100 C101 V102 M123 L146 L153 M202 L293	F93-V98 HydrophobicContact CD1-CG2 4.35Å; F93-V98 HydrophobicContact CE1-CG2 3.67Å; T94-V98 PolarHBondContact O-N 3.22Å; V95-V98 WeakPolarHBondContact O-CB 3.13Å; V95-V98 PolarHBondContact O-N 3.15Å; V98-M100 VanDerWaalsContact C-N 3.3Å; V98-M100 PolarHBondContact O-N 2.81Å; V98-C101 PolarHBondContact O-N 2.89Å; V98-C101 VanDerWaalsContact O-N 3.11Å; V98-V102 HydrophobicContact CG1-CG1 4.44Å; V98-V102 WeakPolarHBondContact O-CG2 3.41Å; V98-V102 PolarHBondContact O-N 2.82Å; V98-M123 HydrophobicContact CB-CE 4.32Å; V98-M123 HydrophobicContact CG1-CE 3.88Å; V98-L146 HydrophobicContact CG1-CD2 3.72Å; V98-L153 HydrophobicContact CG1-CD2 4.15Å; V98-M202 HydrophobicContact CB-SD 4.29Å; V98-M202 HydrophobicContact CG1-CE 4.45Å; V98-M202 HydrophobicContact CG1-SD 4.04Å; V98-M202 HydrophobicContact CG2-SD 4.35Å; V98-L293 HydrophobicContact CG2-CD1 4.17Å
99	K	98.6	Very high	98.2	Very high	30 Å²	30	55.2 Å²	55.2	13%	0.13	29%	0.291	C	S	.	.	H	α-helix	trans	-55.3	-42.1	175.5	171.7	-164.5	67.2	-163.6	0	112.2	V95 N96 D97 C101 G103 M123 T127	V95-K99 PolarHBondContact O-N 2.86Å; N96-K99 WeakPolarHBondContact O-CB 3.26Å; N96-K99 PolarHBondContact O-N 2.99Å; N96-K99 WeakPolarHBondContact OD1-CE 3.46Å; N96-K99 PolarHBondContact OD1-NZ 2.84Å; D97-K99 VanDerWaalsContact C-N 3.34Å; D97-K99 PolarHBondContact O-N 3.13Å; K99-C101 VanDerWaalsContact C-N 3.31Å; K99-C101 PolarHBondContact O-N 3.34Å; K99-G103 CarbonylContact O-C 3.6Å; K99-G103 WeakPolarHBondContact O-CA 3.38Å; K99-G103 PolarHBondContact O-N 3.42Å; K99-M123 HydrophobicContact CB-CB 4.26Å; K99-M123 HydrophobicContact CB-CE 3.85Å; K99-M123 HydrophobicContact CG-CB 4.05Å; K99-T127 WeakPolarHBondContact CB-OG1 3.43Å; K99-T127 HydrophobicContact CD-CG2 4.39Å; K99-T127 WeakPolarHBondContact CD-OG1 3.27Å
100	M	98.4	Very high	98.2	Very high	103 Å²	103	54.9 Å²	54.9	51%	0.507	29%	0.289	S	S	.	.	H	α-helix	trans	-69.6	-26.6	179.7	-69.2	-60.1	-71.8	0	0	113	N96 D97 V98 R152	N96-M100 VanDerWaalsContact O-CG 3.3Å; N96-M100 WeakPolarHBondContact O-CG 3.46Å; N96-M100 PolarHBondContact O-N 2.84Å; D97-M100 PolarHBondContact O-N 2.92Å; D97-M100 VanDerWaalsContact O-N 3.13Å; V98-M100 VanDerWaalsContact C-N 3.3Å; V98-M100 PolarHBondContact O-N 2.81Å; M100-R152 PolarHBondContact O-NH2 2.89Å
101	C	98.4	Very high	98.1	Very high	21 Å²	21	51.7 Å²	51.7	14%	0.142	27%	0.271	C	S	.	.	H	α-helix	trans	-82.5	-39.4	174.3	-74	0	0	0	0	114	D97 V98 K99 R152 L153	D97-C101 PolarHBondContact O-N 3.15Å; V98-C101 PolarHBondContact O-N 2.89Å; V98-C101 VanDerWaalsContact O-N 3.11Å; K99-C101 VanDerWaalsContact C-N 3.31Å; K99-C101 PolarHBondContact O-N 3.34Å; C101-R152 HydrophobicContact CB-CB 4.4Å; C101-L153 HydrophobicContact CB-CB 3.82Å; C101-L153 HydrophobicContact CB-CD1 4.45Å
102	V	98.2	Very high	97.9	Very high	12 Å²	12	48.2 Å²	48.2	7%	0.073	25%	0.248	C	C	.	.	H	α-helix	trans	-94.7	-13.2	-177.1	-48.5	0	0	0	0	114.6	V98 M123 L146 F148 T151 L153	V98-V102 HydrophobicContact CG1-CG1 4.44Å; V98-V102 WeakPolarHBondContact O-CG2 3.41Å; V98-V102 PolarHBondContact O-N 2.82Å; V102-M123 HydrophobicContact CG2-CE 4.37Å; V102-M123 HydrophobicContact CG2-CG 3.7Å; V102-M123 HydrophobicContact CG2-SD 4.42Å; V102-L146 HydrophobicContact CG2-CD2 4.4Å; V102-F148 HydrophobicContact CG1-CB 4Å; V102-T151 HydrophobicContact CB-CG2 4.24Å; V102-T151 HydrophobicContact CG1-CG2 4.16Å; V102-L153 HydrophobicContact CG1-CD2 4.28Å
103	G	98.3	Very high	97.7	Very high	32 Å²	32	41.8 Å²	41.8	33%	0.33	21%	0.214	S	C	.	.			trans	98.3	126.5	175.8	0	0	0	0	0	114.7	K99 R105 R106	K99-G103 CarbonylContact O-C 3.6Å; K99-G103 WeakPolarHBondContact O-CA 3.38Å; K99-G103 PolarHBondContact O-N 3.42Å; G103-R105 VanDerWaalsContact C-N 3.26Å; G103-R105 PolarHBondContact O-N 2.74Å; G103-R105 VanDerWaalsContact O-N 3.09Å; G103-R106 WeakPolarHBondContact O-CB 3.43Å; G103-R106 PolarHBondContact O-N 2.73Å
104	S	98	Very high	97.2	Very high	49 Å²	49	44.7 Å²	44.7	34%	0.343	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.1	-174.4	-51.2	0	0	0	0	116.2	A124	S104-A124 WeakPolarHBondContact O-CB 3.32Å; S104-A124 PolarHBondContact O-N 2.85Å
105	R	98.1	Very high	96.7	Very high	226 Å²	226	45 Å²	45	85%	0.853	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.2	179.9	-66	-174.1	-64.6	178.1	0.3	113.7	G103 M107	G103-R105 VanDerWaalsContact C-N 3.26Å; G103-R105 PolarHBondContact O-N 2.74Å; G103-R105 VanDerWaalsContact O-N 3.09Å; R105-M107 PolarHBondContact O-N 3.36Å
106	R	97.9	Very high	96.1	Very high	24 Å²	24	47.3 Å²	47.3	9%	0.091	24%	0.242	C	C	.	.			trans	-62.1	127.5	178.1	177.8	173.7	171.6	155.7	0.7	109.4	G103 V108 T122 M123 E147 S184 T185	G103-R106 WeakPolarHBondContact O-CB 3.43Å; G103-R106 PolarHBondContact O-N 2.73Å; R106-V108 HydrophobicContact CG-CG2 4.48Å; R106-T122 CarbonylContact O-C 3.41Å; R106-T122 VanDerWaalsContact O-CA 3.3Å; R106-T122 WeakPolarHBondContact O-CA 3.32Å; R106-M123 HydrophobicContact CB-CG 4.47Å; R106-M123 PolarHBondContact O-N 3.39Å; R106-E147 PolarHBondContact NH1-O 3.24Å; R106-E147 PolarHBondContact NH2-O 2.63Å; R106-S184 VanDerWaalsContact CZ-O 3.3Å; R106-S184 PolarHBondContact NH1-O 2.7Å; R106-S184 PolarHBondContact NH2-O 2.71Å; R106-T185 HydrophobicContact CG-CG2 4.37Å
107	M	98.1	Very high	95.6	Very high	94 Å²	94	52 Å²	52	46%	0.463	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	142.1	170.8	-65.6	-57.5	-60.5	0	0	110.2	R105 E120 M121 T122	R105-M107 PolarHBondContact O-N 3.36Å; M107-E120 HydrophobicContact CE-CB 3.66Å; M107-M121 WeakPolarHBondContact CA-O 3.46Å; M107-T122 HydrophobicContact SD-CG2 3.69Å
108	V	97.7	Very high	95.2	Very high	7 Å²	7	52.3 Å²	52.3	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136.4	-179.4	-178.3	0	0	0	0	109	R106 V110 E120 M121 M123 V143 L146	R106-V108 HydrophobicContact CG-CG2 4.48Å; V108-V110 PolarHBondContact O-N 3.3Å; V108-E120 WeakPolarHBondContact O-CA 3.45Å; V108-M121 PolarHBondContact N-O 3.32Å; V108-M121 PolarHBondContact O-N 3.05Å; V108-M121 VanDerWaalsContact O-N 3.15Å; V108-M123 HydrophobicContact CG2-CG 3.6Å; V108-M123 HydrophobicContact CG2-SD 3.64Å; V108-V143 HydrophobicContact CG1-CG1 3.7Å; V108-V143 HydrophobicContact CG1-CG2 3.96Å; V108-L146 HydrophobicContact CG1-CB 4.35Å; V108-L146 HydrophobicContact CG2-CD1 3.93Å
109	D	96.9	Very high	95	Very high	52 Å²	52	55.2 Å²	55.2	28%	0.278	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	121.9	169.1	-77.2	-59.4	0	0	0	109.9	S145 K323	D109-S145 WeakPolarHBondContact CB-OG 3.47Å; D109-K323 WeakPolarHBondContact OD1-CE 3.36Å; D109-K323 IonicContact OD1-NZ 3.36Å; D109-K323 PolarHBondContact OD1-NZ 3.04Å; D109-K323 WeakPolarHBondContact OD2-CE 3.3Å; D109-K323 IonicContact OD2-NZ 2.81Å; D109-K323 PolarHBondContact OD2-NZ 3.25Å
110	V	97.7	Very high	94.9	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.1	179.8	-175.1	0	0	0	0	108.8	V108 G118 I119 M121 W126 Y141 V143	V108-V110 PolarHBondContact O-N 3.3Å; V110-G118 WeakPolarHBondContact O-CA 3.47Å; V110-I119 HydrophobicContact CB-CG1 4.02Å; V110-I119 PolarHBondContact N-O 3.36Å; V110-I119 WeakPolarHBondContact O-CG1 3.33Å; V110-I119 PolarHBondContact O-N 3.1Å; V110-I119 VanDerWaalsContact O-O 3.11Å; V110-M121 HydrophobicContact CB-CE 4.13Å; V110-M121 HydrophobicContact CG1-CE 4.05Å; V110-M121 HydrophobicContact CG2-CE 3.96Å; V110-M121 HydrophobicContact CG2-CG 3.66Å; V110-M121 HydrophobicContact CG2-SD 4.08Å; V110-W126 HydrophobicContact CG1-CE3 4.12Å; V110-W126 HydrophobicContact CG1-CZ3 3.97Å; V110-W126 HydrophobicContact CG2-CE3 4.28Å; V110-Y141 HydrophobicContact CG1-CD1 4.13Å; V110-Y141 HydrophobicContact CG1-CG 4Å; V110-V143 HydrophobicContact CB-CG2 4.47Å; V110-V143 HydrophobicContact CG1-CG2 4.42Å; V110-V143 HydrophobicContact CG2-CG2 3.82Å
111	M	95.9	Very high	94.9	Very high	38 Å²	38	55.4 Å²	55.4	19%	0.187	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.7	176.8	-175.8	-177.6	-69.4	0	0	110.3	V113 Q116 Y141 N142 I144	M111-V113 PolarHBondContact O-N 2.93Å; M111-Q116 PolarHBondContact SD-NE2 3.3Å; M111-Y141 CarbonylContact O-C 3.57Å; M111-Y141 VanDerWaalsContact O-CA 3.32Å; M111-Y141 WeakPolarHBondContact O-CA 3.32Å; M111-N142 HydrophobicContact CB-CB 4.47Å; M111-N142 PolarHBondContact N-O 3.1Å; M111-N142 PolarHBondContact O-N 3.45Å; M111-I144 HydrophobicContact CE-CD1 3.7Å
112	D	95.1	Very high	94.9	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	109.5	163.8	-179.3	-55.9	0	0	0	108	N114 T115 Q116 K117 K139 Y141	D112-N114 PolarHBondContact O-N 3.23Å; D112-N114 PolarHBondContact OD1-N 3.18Å; D112-T115 WeakPolarHBondContact CB-OG1 3.4Å; D112-T115 PolarHBondContact O-N 3.4Å; D112-T115 PolarHBondContact OD1-N 2.94Å; D112-T115 VanDerWaalsContact OD1-N 3.13Å; D112-T115 PolarHBondContact OD1-OG1 2.64Å; D112-Q116 VanDerWaalsContact O-CA 3.32Å; D112-Q116 WeakPolarHBondContact O-CA 3.24Å; D112-Q116 PolarHBondContact O-N 3.08Å; D112-K117 PolarHBondContact N-O 3.23Å; D112-K139 IonicContact OD2-NZ 2.63Å; D112-K139 PolarHBondContact OD2-NZ 3.46Å; D112-Y141 HydrophobicContact CB-CD1 4.17Å; D112-Y141 HydrophobicContact CB-CE1 4.02Å
113	V	92.4	Very high	94.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.2	-171.1	165.8	0	0	0	0	113	R36 M111 Q116 L140 N142 C207	R36-V113 PolarHBondContact NH1-O 3.49Å; R36-V113 PolarHBondContact NH2-O 3.08Å; M111-V113 PolarHBondContact O-N 2.93Å; V113-Q116 PolarHBondContact O-OE1 3.23Å; V113-Q116 VanDerWaalsContact O-OE1 3.05Å; V113-L140 HydrophobicContact CB-CB 3.86Å; V113-L140 WeakPolarHBondContact CB-O 3.42Å; V113-L140 HydrophobicContact CG1-CB 4.24Å; V113-L140 HydrophobicContact CG1-CD1 4.49Å; V113-L140 HydrophobicContact CG2-CB 4.39Å; V113-L140 PolarHBondContact N-O 2.81Å; V113-N142 HydrophobicContact CG2-CB 3.76Å; V113-C207 HydrophobicContact CG2-CB 4.14Å
114	N	88.6	Confident	95	Very high	78 Å²	78	55.7 Å²	55.7	42%	0.417	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-40.4	176.8	-66.3	-26.1	0	0	0	110.2	D112	D112-N114 PolarHBondContact O-N 3.23Å; D112-N114 PolarHBondContact OD1-N 3.18Å
115	T	87.1	Confident	95	Very high	62 Å²	62	58.6 Å²	58.6	38%	0.38	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-9.5	-176.6	60.8	0	0	0	0	114.6	D112 K117	D112-T115 WeakPolarHBondContact CB-OG1 3.4Å; D112-T115 PolarHBondContact O-N 3.4Å; D112-T115 PolarHBondContact OD1-N 2.94Å; D112-T115 VanDerWaalsContact OD1-N 3.13Å; D112-T115 PolarHBondContact OD1-OG1 2.64Å; T115-K117 PolarHBondContact O-N 3.35Å; T115-K117 VanDerWaalsContact O-N 3.1Å; T115-K117 PolarHBondContact OG1-N 2.96Å
116	Q	86.2	Confident	95	Very high	55 Å²	55	47.8 Å²	47.8	26%	0.257	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	13.7	-166	-55.5	-59.7	135.3	0	0	114.2	M111 D112 V113	M111-Q116 PolarHBondContact SD-NE2 3.3Å; D112-Q116 VanDerWaalsContact O-CA 3.32Å; D112-Q116 WeakPolarHBondContact O-CA 3.24Å; D112-Q116 PolarHBondContact O-N 3.08Å; V113-Q116 PolarHBondContact O-OE1 3.23Å; V113-Q116 VanDerWaalsContact O-OE1 3.05Å
117	K	88.6	Confident	95	Very high	148 Å²	148	46.7 Å²	46.7	64%	0.643	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	145.5	-178.7	-66.6	176.9	-176.8	176.9	0	111.3	D112 T115	D112-K117 PolarHBondContact N-O 3.23Å; T115-K117 PolarHBondContact O-N 3.35Å; T115-K117 VanDerWaalsContact O-N 3.1Å; T115-K117 PolarHBondContact OG1-N 2.96Å
118	G	90.5	Very high	95.1	Very high	59 Å²	59	51.4 Å²	51.4	61%	0.608	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	135.6	173.6	0	0	0	0	0	112.5	V110	V110-G118 WeakPolarHBondContact O-CA 3.47Å
119	I	95.1	Very high	95.1	Very high	61 Å²	61	52.4 Å²	52.4	31%	0.313	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	168.7	163.8	66.1	171.5	0	0	0	108.6	V110 M121 Y141	V110-I119 HydrophobicContact CB-CG1 4.02Å; V110-I119 PolarHBondContact N-O 3.36Å; V110-I119 WeakPolarHBondContact O-CG1 3.33Å; V110-I119 PolarHBondContact O-N 3.1Å; V110-I119 VanDerWaalsContact O-O 3.11Å; I119-M121 HydrophobicContact CD1-CE 3.75Å; I119-M121 HydrophobicContact CG1-CE 4.4Å; I119-Y141 HydrophobicContact CD1-CD1 4.08Å; I119-Y141 HydrophobicContact CD1-CE1 3.4Å; I119-Y141 VanDerWaalsContact CD1-CE1 3.4Å; I119-Y141 HydrophobicContact CD1-CE2 4.48Å; I119-Y141 HydrophobicContact CG1-CE1 4.44Å
120	E	96.1	Very high	95.2	Very high	116 Å²	116	51.4 Å²	51.4	54%	0.542	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137	177.5	-64.1	-179.2	174.8	0	0	110.3	M107 V108 K323	M107-E120 HydrophobicContact CE-CB 3.66Å; V108-E120 WeakPolarHBondContact O-CA 3.45Å; E120-K323 IonicContact OE1-NZ 3.41Å; E120-K323 PolarHBondContact OE1-NZ 3.03Å
121	M	98.1	Very high	95.2	Very high	21 Å²	21	57 Å²	57	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	167.8	171.4	70.1	-177.1	70.9	0	0	111.3	M107 V108 V110 I119 Q125 W126 Y141	M107-M121 WeakPolarHBondContact CA-O 3.46Å; V108-M121 PolarHBondContact N-O 3.32Å; V108-M121 PolarHBondContact O-N 3.05Å; V108-M121 VanDerWaalsContact O-N 3.15Å; V110-M121 HydrophobicContact CB-CE 4.13Å; V110-M121 HydrophobicContact CG1-CE 4.05Å; V110-M121 HydrophobicContact CG2-CE 3.96Å; V110-M121 HydrophobicContact CG2-CG 3.66Å; V110-M121 HydrophobicContact CG2-SD 4.08Å; I119-M121 HydrophobicContact CD1-CE 3.75Å; I119-M121 HydrophobicContact CG1-CE 4.4Å; M121-Q125 HydrophobicContact CB-CB 4.19Å; M121-Q125 HydrophobicContact CG-CB 4.29Å; M121-Q125 HydrophobicContact SD-CB 4.13Å; M121-W126 HydrophobicContact CG-CB 4.36Å; M121-W126 HydrophobicContact SD-CB 4.17Å; M121-W126 HydrophobicContact SD-CE3 4.43Å; M121-Y141 HydrophobicContact CE-CD2 4.27Å; M121-Y141 HydrophobicContact CE-CE2 4.22Å
122	T	98.6	Very high	95.3	Very high	28 Å²	28	56.9 Å²	56.9	17%	0.172	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	152.6	175.7	62	0	0	0	0	112	R106 M107 A124 Q125 W126	R106-T122 CarbonylContact O-C 3.41Å; R106-T122 VanDerWaalsContact O-CA 3.3Å; R106-T122 WeakPolarHBondContact O-CA 3.32Å; M107-T122 HydrophobicContact SD-CG2 3.69Å; T122-A124 PolarHBondContact O-N 3.21Å; T122-A124 VanDerWaalsContact O-N 3.13Å; T122-Q125 WeakPolarHBondContact O-CB 3.44Å; T122-Q125 PolarHBondContact O-N 2.81Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.38Å; T122-Q125 PolarHBondContact OG1-N 3.07Å; T122-Q125 PolarHBondContact OG1-OE1 3.36Å; T122-W126 PolarHBondContact O-N 3.14Å
123	M	98.6	Very high	95.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-54.7	-29.9	171.9	-84.5	-60.3	-63.4	0	0	113.7	V98 K99 V102 R106 V108 T127 L146 M202	V98-M123 HydrophobicContact CB-CE 4.32Å; V98-M123 HydrophobicContact CG1-CE 3.88Å; K99-M123 HydrophobicContact CB-CB 4.26Å; K99-M123 HydrophobicContact CB-CE 3.85Å; K99-M123 HydrophobicContact CG-CB 4.05Å; V102-M123 HydrophobicContact CG2-CE 4.37Å; V102-M123 HydrophobicContact CG2-CG 3.7Å; V102-M123 HydrophobicContact CG2-SD 4.42Å; R106-M123 HydrophobicContact CB-CG 4.47Å; R106-M123 PolarHBondContact O-N 3.39Å; V108-M123 HydrophobicContact CG2-CG 3.6Å; V108-M123 HydrophobicContact CG2-SD 3.64Å; M123-T127 WeakPolarHBondContact O-CB 3.41Å; M123-T127 PolarHBondContact O-N 2.9Å; M123-T127 PolarHBondContact O-OG1 2.89Å; M123-L146 HydrophobicContact CE-CD2 4.27Å; M123-L146 HydrophobicContact SD-CD2 3.86Å; M123-M202 HydrophobicContact CE-CE 4.07Å; M123-M202 HydrophobicContact CE-SD 4.19Å; M123-M202 HydrophobicContact SD-CE 4.1Å
124	A	98.7	Very high	95.7	Very high	42 Å²	42	63.6 Å²	63.6	35%	0.347	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-43	172.9	0	0	0	0	0	112.9	S104 T122 R128	S104-A124 WeakPolarHBondContact O-CB 3.32Å; S104-A124 PolarHBondContact O-N 2.85Å; T122-A124 PolarHBondContact O-N 3.21Å; T122-A124 VanDerWaalsContact O-N 3.13Å; A124-R128 PolarHBondContact O-N 3.41Å
125	Q	98.6	Very high	96	Very high	110 Å²	110	67.7 Å²	67.7	51%	0.514	34%	0.342	S	S	.	.	H	α-helix	trans	-68	-44.7	175.8	-70.1	161.7	-64.8	0	0	111	M121 T122 T127 R128 Y129	M121-Q125 HydrophobicContact CB-CB 4.19Å; M121-Q125 HydrophobicContact CG-CB 4.29Å; M121-Q125 HydrophobicContact SD-CB 4.13Å; T122-Q125 WeakPolarHBondContact O-CB 3.44Å; T122-Q125 PolarHBondContact O-N 2.81Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.38Å; T122-Q125 PolarHBondContact OG1-N 3.07Å; T122-Q125 PolarHBondContact OG1-OE1 3.36Å; Q125-T127 PolarHBondContact O-N 3.08Å; Q125-R128 PolarHBondContact O-N 2.97Å; Q125-Y129 PolarHBondContact O-N 2.78Å
126	W	98.7	Very high	96.5	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-58.6	-47.1	176.1	172	-107.4	0	0	0	112.6	V110 M121 T122 R128 Y129 Y130 V143 M202	V110-W126 HydrophobicContact CG1-CE3 4.12Å; V110-W126 HydrophobicContact CG1-CZ3 3.97Å; V110-W126 HydrophobicContact CG2-CE3 4.28Å; M121-W126 HydrophobicContact CG-CB 4.36Å; M121-W126 HydrophobicContact SD-CB 4.17Å; M121-W126 HydrophobicContact SD-CE3 4.43Å; T122-W126 PolarHBondContact O-N 3.14Å; W126-R128 VanDerWaalsContact C-N 3.35Å; W126-R128 PolarHBondContact O-N 3.22Å; W126-Y129 AromaticContact CE3-CD1 3.79Å; W126-Y129 HydrophobicContact CE3-CD1 3.79Å; W126-Y129 HydrophobicContact CE3-CE1 4.42Å; W126-Y129 HydrophobicContact CH2-CD1 4.04Å; W126-Y129 AromaticContact CH2-CE1 3.98Å; W126-Y129 HydrophobicContact CH2-CE1 3.98Å; W126-Y129 AromaticContact CZ3-CD1 3.45Å; W126-Y129 HydrophobicContact CZ3-CD1 3.45Å; W126-Y129 VanDerWaalsContact CZ3-CD1 3.45Å; W126-Y129 AromaticContact CZ3-CE1 3.63Å; W126-Y129 HydrophobicContact CZ3-CE1 3.63Å; W126-Y129 WeakPolarHBondContact O-CB 3.49Å; W126-Y129 PolarHBondContact O-N 3.16Å; W126-Y130 HydrophobicContact CH2-CD2 4.35Å; W126-Y130 AromaticContact CZ2-CD2 3.67Å; W126-Y130 HydrophobicContact CZ2-CD2 3.67Å; W126-Y130 HydrophobicContact CZ2-CE2 4.37Å; W126-Y130 PolarHBondContact O-N 3.29Å; W126-V143 HydrophobicContact CD2-CG2 3.54Å; W126-V143 HydrophobicContact CE3-CG2 3.74Å; W126-V143 HydrophobicContact CG-CG2 4.14Å; W126-V143 HydrophobicContact CH2-CB 4.44Å; W126-V143 HydrophobicContact CH2-CG2 3.99Å; W126-V143 HydrophobicContact CZ2-CB 4.06Å; W126-V143 HydrophobicContact CZ2-CG2 3.8Å; W126-V143 HydrophobicContact CZ3-CG2 3.95Å; W126-M202 HydrophobicContact CZ2-CB 3.64Å; W126-M202 WeakPolarHBondContact CZ2-O 3.25Å; W126-M202 PolarHBondContact NE1-SD 3.5Å; W126-M202 VanDerWaalsContact NE1-SD 3.38Å
127	T	98.8	Very high	97	Very high	1 Å²	1	70 Å²	70	1%	0.006	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-45.9	179.3	-56.7	0	0	0	0	111	V95 N96 K99 M123 Q125 Y129 Y130 E131	V95-T127 HydrophobicContact CG1-CG2 4.3Å; N96-T127 HydrophobicContact CB-CG2 3.95Å; K99-T127 WeakPolarHBondContact CB-OG1 3.43Å; K99-T127 HydrophobicContact CD-CG2 4.39Å; K99-T127 WeakPolarHBondContact CD-OG1 3.27Å; M123-T127 WeakPolarHBondContact O-CB 3.41Å; M123-T127 PolarHBondContact O-N 2.9Å; M123-T127 PolarHBondContact O-OG1 2.89Å; Q125-T127 PolarHBondContact O-N 3.08Å; T127-Y129 VanDerWaalsContact C-N 3.32Å; T127-Y129 PolarHBondContact O-N 3Å; T127-Y130 PolarHBondContact O-N 2.93Å; T127-E131 HydrophobicContact CG2-CG 4.38Å; T127-E131 VanDerWaalsContact CG2-OE1 3.3Å; T127-E131 WeakPolarHBondContact CG2-OE1 3.15Å; T127-E131 WeakPolarHBondContact O-CB 3.48Å; T127-E131 WeakPolarHBondContact O-CG 3.32Å; T127-E131 PolarHBondContact O-N 3.11Å
128	R	98.6	Very high	97.2	Very high	192 Å²	192	72.2 Å²	72.2	73%	0.725	36%	0.359	S	S	*	.	H	α-helix	trans	-61.1	-40.3	176.9	179.9	176.2	178.1	152	2.9	112.2	A124 Q125 W126 T132	A124-R128 PolarHBondContact O-N 3.41Å; Q125-R128 PolarHBondContact O-N 2.97Å; W126-R128 VanDerWaalsContact C-N 3.35Å; W126-R128 PolarHBondContact O-N 3.22Å; R128-T132 PolarHBondContact O-N 3.26Å; R128-T132 PolarHBondContact O-OG1 2.79Å
129	Y	98.6	Very high	97.4	Very high	28 Å²	28	73.6 Å²	73.6	11%	0.11	35%	0.349	C	S	.	.	H	α-helix	trans	-62.3	-46.4	174.5	165.5	-94.7	0	0	0	111.5	Q125 W126 T127 E131 T132 R137 K139 Y141 V204	Q125-Y129 PolarHBondContact O-N 2.78Å; W126-Y129 AromaticContact CE3-CD1 3.79Å; W126-Y129 HydrophobicContact CE3-CD1 3.79Å; W126-Y129 HydrophobicContact CE3-CE1 4.42Å; W126-Y129 HydrophobicContact CH2-CD1 4.04Å; W126-Y129 AromaticContact CH2-CE1 3.98Å; W126-Y129 HydrophobicContact CH2-CE1 3.98Å; W126-Y129 AromaticContact CZ3-CD1 3.45Å; W126-Y129 HydrophobicContact CZ3-CD1 3.45Å; W126-Y129 VanDerWaalsContact CZ3-CD1 3.45Å; W126-Y129 AromaticContact CZ3-CE1 3.63Å; W126-Y129 HydrophobicContact CZ3-CE1 3.63Å; W126-Y129 WeakPolarHBondContact O-CB 3.49Å; W126-Y129 PolarHBondContact O-N 3.16Å; T127-Y129 VanDerWaalsContact C-N 3.32Å; T127-Y129 PolarHBondContact O-N 3Å; Y129-E131 VanDerWaalsContact C-N 3.33Å; Y129-E131 PolarHBondContact O-N 3.22Å; Y129-T132 VanDerWaalsContact O-CB 3.26Å; Y129-T132 WeakPolarHBondContact O-CB 3.34Å; Y129-T132 PolarHBondContact O-N 3.07Å; Y129-T132 VanDerWaalsContact O-N 3.13Å; Y129-T132 PolarHBondContact O-OG1 2.67Å; Y129-R137 HydrophobicContact CE2-CB 4.24Å; Y129-R137 HydrophobicContact CE2-CG 4.1Å; Y129-K139 VanDerWaalsContact CE2-O 3.27Å; Y129-K139 WeakPolarHBondContact CE2-O 3.25Å; Y129-K139 PolarHBondContact OH-O 3.02Å; Y129-Y141 HydrophobicContact CD1-CD2 4.4Å; Y129-Y141 AromaticContact CD2-CD2 3.86Å; Y129-Y141 HydrophobicContact CD2-CD2 3.86Å; Y129-Y141 HydrophobicContact CE1-CD2 4.25Å; Y129-Y141 HydrophobicContact CE1-CG 4.48Å; Y129-Y141 AromaticContact CE2-CD2 3.67Å; Y129-Y141 HydrophobicContact CE2-CD2 3.67Å; Y129-Y141 HydrophobicContact CE2-CE2 4.47Å; Y129-Y141 HydrophobicContact CE2-CG 4.45Å; Y129-Y141 HydrophobicContact CG-CD2 4.22Å; Y129-Y141 AromaticContact CZ-CD2 3.88Å; Y129-Y141 PolarHBondContact OH-N 2.9Å; Y129-V204 HydrophobicContact CE1-CG1 4.04Å; Y129-V204 HydrophobicContact CE1-CG2 4.34Å
130	Y	98.6	Very high	97.4	Very high	32 Å²	32	73 Å²	73	13%	0.125	35%	0.346	C	S	.	.	H	α-helix	trans	-62.9	-39.9	179.6	-164.1	-84.2	0	0	0	111.9	V95 W126 T127 T132 R137 M202 V204 D291 T292	V95-Y130 HydrophobicContact CB-CD1 4.06Å; V95-Y130 HydrophobicContact CB-CE1 4.42Å; V95-Y130 HydrophobicContact CB-CG 4.31Å; V95-Y130 HydrophobicContact CG1-CD1 4.47Å; V95-Y130 HydrophobicContact CG1-CG 4.24Å; V95-Y130 HydrophobicContact CG2-CD1 3.62Å; V95-Y130 HydrophobicContact CG2-CD2 4.08Å; V95-Y130 HydrophobicContact CG2-CE1 3.56Å; V95-Y130 HydrophobicContact CG2-CE2 4.02Å; V95-Y130 HydrophobicContact CG2-CG 3.87Å; W126-Y130 HydrophobicContact CH2-CD2 4.35Å; W126-Y130 AromaticContact CZ2-CD2 3.67Å; W126-Y130 HydrophobicContact CZ2-CD2 3.67Å; W126-Y130 HydrophobicContact CZ2-CE2 4.37Å; W126-Y130 PolarHBondContact O-N 3.29Å; T127-Y130 PolarHBondContact O-N 2.93Å; Y130-T132 VanDerWaalsContact C-N 3.25Å; Y130-T132 PolarHBondContact O-N 2.83Å; Y130-R137 PolarHBondContact O-NH2 3.31Å; Y130-M202 HydrophobicContact CE2-CB 4.26Å; Y130-V204 HydrophobicContact CD2-CG1 3.73Å; Y130-V204 HydrophobicContact CE2-CG1 3.95Å; Y130-V204 HydrophobicContact CG-CG1 4.41Å; Y130-D291 HydrophobicContact CE1-CB 4.49Å; Y130-T292 PolarHBondContact OH-N 3.17Å; Y130-T292 VanDerWaalsContact OH-N 3.09Å
131	E	98.2	Very high	97.5	Very high	119 Å²	119	69.5 Å²	69.5	56%	0.556	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-7.9	176.8	-68.8	168.1	173.3	0	0	114	T127 Y129	T127-E131 HydrophobicContact CG2-CG 4.38Å; T127-E131 VanDerWaalsContact CG2-OE1 3.3Å; T127-E131 WeakPolarHBondContact CG2-OE1 3.15Å; T127-E131 WeakPolarHBondContact O-CB 3.48Å; T127-E131 WeakPolarHBondContact O-CG 3.32Å; T127-E131 PolarHBondContact O-N 3.11Å; Y129-E131 VanDerWaalsContact C-N 3.33Å; Y129-E131 PolarHBondContact O-N 3.22Å
132	T	98.5	Very high	97.5	Very high	35 Å²	35	68.5 Å²	68.5	22%	0.215	32%	0.323	C	S	.	.	S	Bend	trans	-73.3	134	176.1	-59.3	0	0	0	0	109.8	R128 Y129 Y130 E136 R137	R128-T132 PolarHBondContact O-N 3.26Å; R128-T132 PolarHBondContact O-OG1 2.79Å; Y129-T132 VanDerWaalsContact O-CB 3.26Å; Y129-T132 WeakPolarHBondContact O-CB 3.34Å; Y129-T132 PolarHBondContact O-N 3.07Å; Y129-T132 VanDerWaalsContact O-N 3.13Å; Y129-T132 PolarHBondContact O-OG1 2.67Å; Y130-T132 VanDerWaalsContact C-N 3.25Å; Y130-T132 PolarHBondContact O-N 2.83Å; T132-E136 HydrophobicContact CG2-CB 3.58Å; T132-R137 HydrophobicContact CG2-CG 4.23Å; T132-R137 PolarHBondContact O-NE 3.03Å; T132-R137 PolarHBondContact O-NH2 3.03Å
133	P	98	Very high	97.5	Very high	55 Å²	55	67.2 Å²	67.2	36%	0.357	32%	0.315	S	S	.	.			trans	-53.3	148.8	176.2	-26.5	34.9	0	0	0	113.1	E135 E136 R137	P133-E135 VanDerWaalsContact C-N 3.26Å; P133-E135 HydrophobicContact CB-CG 4.46Å; P133-E135 WeakPolarHBondContact CB-OE2 3.05Å; P133-E135 PolarHBondContact O-N 3.25Å; P133-E136 HydrophobicContact CB-CB 4.43Å; P133-E136 HydrophobicContact CB-CG 4.35Å; P133-E136 HydrophobicContact CG-CG 4.5Å; P133-E136 PolarHBondContact O-N 2.95Å; P133-R137 WeakPolarHBondContact O-CG 3.02Å; P133-R137 PolarHBondContact O-N 3.28Å
134	E	96.5	Very high	97.5	Very high	94 Å²	94	69.6 Å²	69.6	44%	0.439	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-56.8	-41.4	-173.4	-169.9	-175.1	131.4	0	0	112.2	E136 R137 R205	E134-E136 VanDerWaalsContact C-N 3.26Å; E134-E136 PolarHBondContact O-N 2.67Å; E134-R137 PolarHBondContact O-N 3.17Å; E134-R205 IonicContact OE1-CZ 3.04Å; E134-R205 IonicContact OE1-NH1 2.84Å; E134-R205 PolarHBondContact OE1-NH1 3.15Å; E134-R205 WeakPolarHBondContact OE2-CD 3.42Å; E134-R205 IonicContact OE2-CZ 2.66Å; E134-R205 IonicContact OE2-NE 2.77Å; E134-R205 IonicContact OE2-NH1 2.78Å; E134-R205 PolarHBondContact OE2-NH1 3.49Å
135	E	96.1	Very high	97.4	Very high	164 Å²	164	69.7 Å²	69.7	77%	0.766	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-69.2	-17.3	178.4	67	-88.5	-144.3	0	0	114.5	P133	P133-E135 VanDerWaalsContact C-N 3.26Å; P133-E135 HydrophobicContact CB-CG 4.46Å; P133-E135 WeakPolarHBondContact CB-OE2 3.05Å; P133-E135 PolarHBondContact O-N 3.25Å
136	E	97.5	Very high	97.4	Very high	131 Å²	131	64.5 Å²	64.5	61%	0.612	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-99.3	-7.4	177.3	-66.9	-175.8	-171.9	0	0	112.7	T132 P133 E134 E138	T132-E136 HydrophobicContact CG2-CB 3.58Å; P133-E136 HydrophobicContact CB-CB 4.43Å; P133-E136 HydrophobicContact CB-CG 4.35Å; P133-E136 HydrophobicContact CG-CG 4.5Å; P133-E136 PolarHBondContact O-N 2.95Å; E134-E136 VanDerWaalsContact C-N 3.26Å; E134-E136 PolarHBondContact O-N 2.67Å; E136-E138 PolarHBondContact O-N 2.84Å; E136-E138 VanDerWaalsContact O-N 3.14Å
137	R	96.3	Very high	97.4	Very high	33 Å²	33	64.5 Å²	64.5	13%	0.125	30%	0.302	C	S	.	.			trans	-75.1	101.2	179.1	-69.9	170.4	-169.3	167.7	-7.1	110.9	Y129 Y130 T132 P133 E134 K139 D291	Y129-R137 HydrophobicContact CE2-CB 4.24Å; Y129-R137 HydrophobicContact CE2-CG 4.1Å; Y130-R137 PolarHBondContact O-NH2 3.31Å; T132-R137 HydrophobicContact CG2-CG 4.23Å; T132-R137 PolarHBondContact O-NE 3.03Å; T132-R137 PolarHBondContact O-NH2 3.03Å; P133-R137 WeakPolarHBondContact O-CG 3.02Å; P133-R137 PolarHBondContact O-N 3.28Å; E134-R137 PolarHBondContact O-N 3.17Å; R137-K139 PolarHBondContact O-N 3.45Å; R137-K139 VanDerWaalsContact O-N 3.08Å; R137-D291 IonicContact CZ-OD1 2.66Å; R137-D291 IonicContact CZ-OD2 3.72Å; R137-D291 IonicContact NH1-OD1 2.73Å; R137-D291 PolarHBondContact NH1-OD1 2.63Å; R137-D291 IonicContact NH1-OD2 3.55Å; R137-D291 PolarHBondContact NH1-OD2 3.45Å; R137-D291 IonicContact NH2-OD1 2.63Å; R137-D291 IonicContact NH2-OD2 2.71Å; R137-D291 PolarHBondContact NH2-OD2 2.9Å
138	E	92.6	Very high	97.4	Very high	195 Å²	195	64.5 Å²	64.5	91%	0.911	30%	0.301	S	S	*	.	S	Bend	trans	-55.6	-26.9	177.3	-63.2	-178.9	176.7	0	0	114.7	E136	E136-E138 PolarHBondContact O-N 2.84Å; E136-E138 VanDerWaalsContact O-N 3.14Å
139	K	94.9	Very high	97.4	Very high	88 Å²	88	55.3 Å²	55.3	38%	0.383	27%	0.267	S	S	.	.	S	Bend	trans	-144.6	156.4	-175.5	-76.8	-177.1	159.2	-143.8	0	111.3	D112 Y129 R137 Y141	D112-K139 IonicContact OD2-NZ 2.63Å; D112-K139 PolarHBondContact OD2-NZ 3.46Å; Y129-K139 VanDerWaalsContact CE2-O 3.27Å; Y129-K139 WeakPolarHBondContact CE2-O 3.25Å; Y129-K139 PolarHBondContact OH-O 3.02Å; R137-K139 PolarHBondContact O-N 3.45Å; R137-K139 VanDerWaalsContact O-N 3.08Å; K139-Y141 HydrophobicContact CB-CD2 4.37Å; K139-Y141 HydrophobicContact CB-CE1 4.26Å; K139-Y141 HydrophobicContact CB-CE2 4.03Å; K139-Y141 HydrophobicContact CD-CE1 3.93Å; K139-Y141 HydrophobicContact CD-CE2 4.26Å; K139-Y141 WeakPolarHBondContact CD-OH 3.45Å
140	L	95.6	Very high	97.3	Very high	50 Å²	50	56.6 Å²	56.6	26%	0.262	27%	0.274	S	S	.	.			trans	-93.1	112.5	168.5	-69.4	176.5	0	0	0	110.2	V113 V204	V113-L140 HydrophobicContact CB-CB 3.86Å; V113-L140 WeakPolarHBondContact CB-O 3.42Å; V113-L140 HydrophobicContact CG1-CB 4.24Å; V113-L140 HydrophobicContact CG1-CD1 4.49Å; V113-L140 HydrophobicContact CG2-CB 4.39Å; V113-L140 PolarHBondContact N-O 2.81Å; L140-V204 HydrophobicContact CD2-CG2 4.17Å
141	Y	98.3	Very high	97.3	Very high	41 Å²	41	56.1 Å²	56.1	16%	0.161	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.3	178.1	-69.1	-47.8	0	0	0	111.1	V110 M111 D112 I119 M121 Y129 K139 C207	V110-Y141 HydrophobicContact CG1-CD1 4.13Å; V110-Y141 HydrophobicContact CG1-CG 4Å; M111-Y141 CarbonylContact O-C 3.57Å; M111-Y141 VanDerWaalsContact O-CA 3.32Å; M111-Y141 WeakPolarHBondContact O-CA 3.32Å; D112-Y141 HydrophobicContact CB-CD1 4.17Å; D112-Y141 HydrophobicContact CB-CE1 4.02Å; I119-Y141 HydrophobicContact CD1-CD1 4.08Å; I119-Y141 HydrophobicContact CD1-CE1 3.4Å; I119-Y141 VanDerWaalsContact CD1-CE1 3.4Å; I119-Y141 HydrophobicContact CD1-CE2 4.48Å; I119-Y141 HydrophobicContact CG1-CE1 4.44Å; M121-Y141 HydrophobicContact CE-CD2 4.27Å; M121-Y141 HydrophobicContact CE-CE2 4.22Å; Y129-Y141 HydrophobicContact CD1-CD2 4.4Å; Y129-Y141 AromaticContact CD2-CD2 3.86Å; Y129-Y141 HydrophobicContact CD2-CD2 3.86Å; Y129-Y141 HydrophobicContact CE1-CD2 4.25Å; Y129-Y141 HydrophobicContact CE1-CG 4.48Å; Y129-Y141 AromaticContact CE2-CD2 3.67Å; Y129-Y141 HydrophobicContact CE2-CD2 3.67Å; Y129-Y141 HydrophobicContact CE2-CE2 4.47Å; Y129-Y141 HydrophobicContact CE2-CG 4.45Å; Y129-Y141 HydrophobicContact CG-CD2 4.22Å; Y129-Y141 AromaticContact CZ-CD2 3.88Å; Y129-Y141 PolarHBondContact OH-N 2.9Å; K139-Y141 HydrophobicContact CB-CD2 4.37Å; K139-Y141 HydrophobicContact CB-CE1 4.26Å; K139-Y141 HydrophobicContact CB-CE2 4.03Å; K139-Y141 HydrophobicContact CD-CE1 3.93Å; K139-Y141 HydrophobicContact CD-CE2 4.26Å; K139-Y141 WeakPolarHBondContact CD-OH 3.45Å; Y141-C207 PolarHBondContact O-SG 3.38Å
142	N	98.2	Very high	97.2	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.7	-176.1	-169.3	12.3	0	0	0	111.2	M111 V113 I144 M202 S203 C207 T209	M111-N142 HydrophobicContact CB-CB 4.47Å; M111-N142 PolarHBondContact N-O 3.1Å; M111-N142 PolarHBondContact O-N 3.45Å; V113-N142 HydrophobicContact CG2-CB 3.76Å; N142-I144 WeakPolarHBondContact ND2-CG2 3.49Å; N142-M202 PolarHBondContact OD1-O 3.02Å; N142-S203 VanDerWaalsContact OD1-CB 3.27Å; N142-S203 WeakPolarHBondContact OD1-CB 3.37Å; N142-S203 PolarHBondContact OD1-OG 3.09Å; N142-C207 HydrophobicContact CB-CB 4.26Å; N142-T209 PolarHBondContact ND2-OG1 2.95Å
143	V	98.7	Very high	97.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.1	171.1	172.1	0	0	0	0	109.2	V108 V110 W126 L146 L201 M202	V108-V143 HydrophobicContact CG1-CG1 3.7Å; V108-V143 HydrophobicContact CG1-CG2 3.96Å; V110-V143 HydrophobicContact CB-CG2 4.47Å; V110-V143 HydrophobicContact CG1-CG2 4.42Å; V110-V143 HydrophobicContact CG2-CG2 3.82Å; W126-V143 HydrophobicContact CD2-CG2 3.54Å; W126-V143 HydrophobicContact CE3-CG2 3.74Å; W126-V143 HydrophobicContact CG-CG2 4.14Å; W126-V143 HydrophobicContact CH2-CB 4.44Å; W126-V143 HydrophobicContact CH2-CG2 3.99Å; W126-V143 HydrophobicContact CZ2-CB 4.06Å; W126-V143 HydrophobicContact CZ2-CG2 3.8Å; W126-V143 HydrophobicContact CZ3-CG2 3.95Å; V143-L146 HydrophobicContact CG1-CB 3.92Å; V143-L201 CarbonylContact O-C 3.53Å; V143-L201 VanDerWaalsContact O-CA 3.28Å; V143-L201 WeakPolarHBondContact O-CA 3.36Å; V143-M202 HydrophobicContact CB-CB 4.38Å; V143-M202 HydrophobicContact CB-CE 4Å; V143-M202 HydrophobicContact CG1-CE 3.59Å; V143-M202 HydrophobicContact CG2-CE 4.44Å; V143-M202 PolarHBondContact N-O 2.83Å; V143-M202 PolarHBondContact O-N 3.25Å
144	I	97.7	Very high	97.1	Very high	50 Å²	50	55.8 Å²	55.8	26%	0.256	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	-0.2	-179.6	64.7	174.5	0	0	0	114	M111 N142 L201 T209	M111-I144 HydrophobicContact CE-CD1 3.7Å; N142-I144 WeakPolarHBondContact ND2-CG2 3.49Å; I144-L201 HydrophobicContact CB-CD2 3.79Å; I144-L201 HydrophobicContact CB-CG 4.35Å; I144-L201 HydrophobicContact CG2-CD2 4.02Å; I144-T209 HydrophobicContact CD1-CG2 4.23Å
145	S	96.7	Very high	97	Very high	44 Å²	44	56 Å²	56	31%	0.308	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	16.2	-166.3	52.5	0	0	0	0	114.4	D109 E147	D109-S145 WeakPolarHBondContact CB-OG 3.47Å; S145-E147 PolarHBondContact O-N 3.31Å
146	L	98.6	Very high	97.1	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	89.9	176.5	176.6	61	0	0	0	110.9	V98 V102 V108 M123 V143 F148 Y199 C200 M202	V98-L146 HydrophobicContact CG1-CD2 3.72Å; V102-L146 HydrophobicContact CG2-CD2 4.4Å; V108-L146 HydrophobicContact CG1-CB 4.35Å; V108-L146 HydrophobicContact CG2-CD1 3.93Å; M123-L146 HydrophobicContact CE-CD2 4.27Å; M123-L146 HydrophobicContact SD-CD2 3.86Å; V143-L146 HydrophobicContact CG1-CB 3.92Å; L146-F148 PolarHBondContact O-N 2.95Å; L146-Y199 WeakPolarHBondContact O-CA 3.11Å; L146-C200 HydrophobicContact CB-CB 4.46Å; L146-C200 WeakPolarHBondContact CB-O 3.46Å; L146-C200 HydrophobicContact CD2-CB 4.24Å; L146-C200 HydrophobicContact CG-CB 4.39Å; L146-C200 PolarHBondContact O-N 2.81Å; L146-M202 HydrophobicContact CB-CE 4.48Å; L146-M202 HydrophobicContact CD2-CE 3.55Å
147	E	98.6	Very high	97.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.6	173.6	-145.8	-74.6	166.6	0	0	110.4	R106 S145 S149 N186 K195 Q197 K198 Y199	R106-E147 PolarHBondContact NH1-O 3.24Å; R106-E147 PolarHBondContact NH2-O 2.63Å; S145-E147 PolarHBondContact O-N 3.31Å; E147-S149 WeakPolarHBondContact OE2-CB 3.45Å; E147-S149 PolarHBondContact OE2-N 3.36Å; E147-N186 WeakPolarHBondContact CB-OD1 3.45Å; E147-K195 WeakPolarHBondContact OE2-CG 3.46Å; E147-K195 IonicContact OE2-NZ 3.73Å; E147-K195 PolarHBondContact OE2-NZ 2.75Å; E147-Q197 PolarHBondContact OE1-N 3.19Å; E147-K198 CarbonylContact C-O 3.6Å; E147-K198 VanDerWaalsContact CA-O 3.27Å; E147-K198 WeakPolarHBondContact CA-O 3.29Å; E147-K198 WeakPolarHBondContact CG-O 3.4Å; E147-K198 PolarHBondContact OE1-N 3.41Å; E147-Y199 HydrophobicContact CB-CD1 3.82Å; E147-Y199 HydrophobicContact CB-CE1 3.55Å; E147-Y199 HydrophobicContact CG-CD1 4.01Å; E147-Y199 HydrophobicContact CG-CD2 4.49Å; E147-Y199 HydrophobicContact CG-CE1 3.73Å; E147-Y199 HydrophobicContact CG-CE2 4.24Å; E147-Y199 HydrophobicContact CG-CG 4.38Å
148	F	98.6	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.213	C	C	.	.			trans	-112.4	9	-167.9	65.9	-96.8	0	0	0	114.9	V102 L146 T151 L153 V157 K198 C200 F295	V102-F148 HydrophobicContact CG1-CB 4Å; L146-F148 PolarHBondContact O-N 2.95Å; F148-T151 WeakPolarHBondContact O-CB 3.18Å; F148-T151 WeakPolarHBondContact O-CG2 3.12Å; F148-T151 PolarHBondContact O-N 2.71Å; F148-T151 PolarHBondContact O-OG1 3.28Å; F148-L153 HydrophobicContact CB-CB 4.39Å; F148-L153 HydrophobicContact CB-CD2 4.11Å; F148-L153 HydrophobicContact CD1-CD2 4.2Å; F148-L153 HydrophobicContact CD2-CB 3.6Å; F148-L153 HydrophobicContact CD2-CD2 3.91Å; F148-L153 HydrophobicContact CD2-CG 3.6Å; F148-L153 HydrophobicContact CE2-CB 4.19Å; F148-L153 HydrophobicContact CE2-CD2 4.38Å; F148-L153 HydrophobicContact CE2-CG 3.84Å; F148-L153 HydrophobicContact CG-CB 4.19Å; F148-L153 HydrophobicContact CG-CD2 3.8Å; F148-L153 HydrophobicContact CG-CG 4.05Å; F148-L153 HydrophobicContact CZ-CG 4.47Å; F148-V157 HydrophobicContact CE2-CB 3.84Å; F148-V157 HydrophobicContact CE2-CG2 3.79Å; F148-V157 HydrophobicContact CZ-CB 3.68Å; F148-V157 HydrophobicContact CZ-CG1 3.94Å; F148-V157 HydrophobicContact CZ-CG2 3.59Å; F148-K198 HydrophobicContact CD1-CB 4.47Å; F148-K198 VanDerWaalsContact CD1-O 3.26Å; F148-K198 WeakPolarHBondContact CD1-O 3.49Å; F148-K198 HydrophobicContact CD2-CB 4.38Å; F148-K198 HydrophobicContact CE1-CB 4.02Å; F148-K198 HydrophobicContact CE2-CB 3.93Å; F148-K198 HydrophobicContact CE2-CD 4.17Å; F148-K198 HydrophobicContact CZ-CB 3.72Å; F148-K198 HydrophobicContact CZ-CD 4.48Å; F148-K198 PolarHBondContact N-O 2.96Å; F148-C200 HydrophobicContact CD1-CB 3.67Å; F148-C200 HydrophobicContact CE1-CB 3.98Å; F148-F295 AromaticContact CE1-CD1 3.75Å; F148-F295 HydrophobicContact CE1-CD1 3.75Å; F148-F295 HydrophobicContact CE1-CE1 4.28Å; F148-F295 AromaticContact CZ-CD1 3.91Å; F148-F295 HydrophobicContact CZ-CD1 3.91Å; F148-F295 HydrophobicContact CZ-CE1 4.46Å
149	S	97.8	Very high	97.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	149.3	166.5	-84.3	0	0	0	0	110.2	E147 T151 E154 K195	E147-S149 WeakPolarHBondContact OE2-CB 3.45Å; E147-S149 PolarHBondContact OE2-N 3.36Å; S149-T151 VanDerWaalsContact C-N 3.28Å; S149-E154 WeakPolarHBondContact CB-OE1 3.38Å; S149-E154 PolarHBondContact OG-OE1 2.78Å; S149-K195 VanDerWaalsContact O-CE 3.23Å; S149-K195 WeakPolarHBondContact O-CE 3.21Å; S149-K195 PolarHBondContact O-NZ 3.43Å; S149-K195 VanDerWaalsContact O-NZ 3.13Å
150	H	97.3	Very high	97.7	Very high	55 Å²	55	31.6 Å²	31.6	26%	0.255	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	29.8	-171.2	-49.7	66.9	0	0	0	112.6	E154 Q181 S184 Y193	H150-E154 PolarHBondContact N-OE2 2.8Å; H150-Q181 PolarHBondContact CD2-O 2.9Å; H150-S184 VanDerWaalsContact O-CB 3.23Å; H150-S184 WeakPolarHBondContact O-CB 3.46Å; H150-Y193 AromaticContact CE1-CE1 3.78Å; H150-Y193 AromaticContact CE1-CZ 3.93Å; H150-Y193 PolarHBondContact CE1-OH 2.88Å
151	T	98.3	Very high	97.8	Very high	21 Å²	21	31.1 Å²	31.1	13%	0.129	15%	0.152	C	C	.	.	S	Bend	trans	-130.7	169.9	168.1	78.2	0	0	0	0	110.4	V102 F148 S149 L153 E154	V102-T151 HydrophobicContact CB-CG2 4.24Å; V102-T151 HydrophobicContact CG1-CG2 4.16Å; F148-T151 WeakPolarHBondContact O-CB 3.18Å; F148-T151 WeakPolarHBondContact O-CG2 3.12Å; F148-T151 PolarHBondContact O-N 2.71Å; F148-T151 PolarHBondContact O-OG1 3.28Å; S149-T151 VanDerWaalsContact C-N 3.28Å; T151-L153 PolarHBondContact O-N 3.2Å; T151-L153 VanDerWaalsContact O-N 3.1Å; T151-L153 PolarHBondContact OG1-N 3.49Å; T151-E154 WeakPolarHBondContact O-CB 3.4Å; T151-E154 PolarHBondContact O-N 2.84Å; T151-E154 VanDerWaalsContact O-N 3.14Å
152	R	97	Very high	97.8	Very high	164 Å²	164	29.9 Å²	29.9	62%	0.619	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-59.3	-24.2	176.8	-63.7	-169.3	-63.8	158.6	1.4	113.6	M100 C101 E154	M100-R152 PolarHBondContact O-NH2 2.89Å; C101-R152 HydrophobicContact CB-CB 4.4Å; R152-E154 VanDerWaalsContact C-N 3.27Å; R152-E154 PolarHBondContact O-N 2.95Å
153	L	98.1	Very high	97.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-69.7	-24.7	-179.3	-166	55.1	0	0	0	112.6	P89 F93 V98 C101 V102 F148 T151 N155 M156 V157 F295	P89-L153 HydrophobicContact CG-CD1 4.34Å; F93-L153 HydrophobicContact CE1-CD1 3.8Å; F93-L153 HydrophobicContact CZ-CD1 3.57Å; V98-L153 HydrophobicContact CG1-CD2 4.15Å; C101-L153 HydrophobicContact CB-CB 3.82Å; C101-L153 HydrophobicContact CB-CD1 4.45Å; V102-L153 HydrophobicContact CG1-CD2 4.28Å; F148-L153 HydrophobicContact CB-CB 4.39Å; F148-L153 HydrophobicContact CB-CD2 4.11Å; F148-L153 HydrophobicContact CD1-CD2 4.2Å; F148-L153 HydrophobicContact CD2-CB 3.6Å; F148-L153 HydrophobicContact CD2-CD2 3.91Å; F148-L153 HydrophobicContact CD2-CG 3.6Å; F148-L153 HydrophobicContact CE2-CB 4.19Å; F148-L153 HydrophobicContact CE2-CD2 4.38Å; F148-L153 HydrophobicContact CE2-CG 3.84Å; F148-L153 HydrophobicContact CG-CB 4.19Å; F148-L153 HydrophobicContact CG-CD2 3.8Å; F148-L153 HydrophobicContact CG-CG 4.05Å; F148-L153 HydrophobicContact CZ-CG 4.47Å; T151-L153 PolarHBondContact O-N 3.2Å; T151-L153 VanDerWaalsContact O-N 3.1Å; T151-L153 PolarHBondContact OG1-N 3.49Å; L153-N155 VanDerWaalsContact C-N 3.31Å; L153-N155 PolarHBondContact O-N 3.06Å; L153-M156 HydrophobicContact CD1-CB 4.32Å; L153-M156 HydrophobicContact CD1-SD 3.93Å; L153-M156 WeakPolarHBondContact O-CB 3.49Å; L153-M156 PolarHBondContact O-N 2.93Å; L153-V157 HydrophobicContact CG-CG2 4.49Å; L153-V157 PolarHBondContact O-N 2.93Å; L153-F295 HydrophobicContact CD1-CE1 4.5Å; L153-F295 HydrophobicContact CD2-CE1 4.08Å; L153-F295 HydrophobicContact CG-CE1 4.45Å
154	E	96.7	Very high	97.8	Very high	38 Å²	38	32.3 Å²	32.3	18%	0.178	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-57.6	-40.9	-178.6	177	161.3	-142.8	0	0	113.4	S149 H150 T151 R152 M156 K198	S149-E154 WeakPolarHBondContact CB-OE1 3.38Å; S149-E154 PolarHBondContact OG-OE1 2.78Å; H150-E154 PolarHBondContact N-OE2 2.8Å; T151-E154 WeakPolarHBondContact O-CB 3.4Å; T151-E154 PolarHBondContact O-N 2.84Å; T151-E154 VanDerWaalsContact O-N 3.14Å; R152-E154 VanDerWaalsContact C-N 3.27Å; R152-E154 PolarHBondContact O-N 2.95Å; E154-M156 PolarHBondContact O-N 2.8Å; E154-K198 HydrophobicContact CG-CD 4.13Å; E154-K198 PolarHBondContact O-NZ 2.63Å
155	N	93.3	Very high	97.8	Very high	98 Å²	98	33.1 Å²	33.1	52%	0.524	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-80	-8.6	-178.5	-63.8	-33.1	0	0	0	112.9	K87 L153	K87-N155 PolarHBondContact NZ-O 3.4Å; L153-N155 VanDerWaalsContact C-N 3.31Å; L153-N155 PolarHBondContact O-N 3.06Å
156	M	98.2	Very high	97.9	Very high	57 Å²	57	31.4 Å²	31.4	28%	0.281	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-28.3	176.3	-53.9	179.4	69.7	0	0	111.5	M88 P89 F93 L153 E154	M88-M156 CarbonylContact C-O 3.42Å; P89-M156 HydrophobicContact CB-CE 4.1Å; P89-M156 HydrophobicContact CG-CB 4.25Å; F93-M156 HydrophobicContact CD2-CE 4.16Å; F93-M156 HydrophobicContact CE2-CE 3.68Å; F93-M156 HydrophobicContact CE2-SD 4.32Å; F93-M156 HydrophobicContact CZ-CE 4.38Å; L153-M156 HydrophobicContact CD1-CB 4.32Å; L153-M156 HydrophobicContact CD1-SD 3.93Å; L153-M156 WeakPolarHBondContact O-CB 3.49Å; L153-M156 PolarHBondContact O-N 2.93Å; E154-M156 PolarHBondContact O-N 2.8Å
157	V	98.6	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.			trans	-112.3	123.2	-177.1	-174.6	0	0	0	0	110.8	K87 M88 P89 F148 L153 K198 W221 F295	K87-V157 CarbonylContact O-C 3.54Å; K87-V157 WeakPolarHBondContact O-CA 3.34Å; M88-V157 HydrophobicContact CE-CG1 4.02Å; M88-V157 HydrophobicContact SD-CG1 4.1Å; P89-V157 HydrophobicContact CG-CG2 4.13Å; F148-V157 HydrophobicContact CE2-CB 3.84Å; F148-V157 HydrophobicContact CE2-CG2 3.79Å; F148-V157 HydrophobicContact CZ-CB 3.68Å; F148-V157 HydrophobicContact CZ-CG1 3.94Å; F148-V157 HydrophobicContact CZ-CG2 3.59Å; L153-V157 HydrophobicContact CG-CG2 4.49Å; L153-V157 PolarHBondContact O-N 2.93Å; V157-K198 WeakPolarHBondContact O-CE 3.41Å; V157-K198 PolarHBondContact O-NZ 3.32Å; V157-W221 HydrophobicContact CG1-CH2 4Å; V157-F295 HydrophobicContact CG1-CB 3.88Å; V157-F295 HydrophobicContact CG1-CG 4.22Å; V157-F295 HydrophobicContact CG2-CB 4.47Å; V157-F295 HydrophobicContact CG2-CD1 3.78Å; V157-F295 HydrophobicContact CG2-CD2 4.29Å; V157-F295 HydrophobicContact CG2-CE1 4.07Å; V157-F295 HydrophobicContact CG2-CG 3.9Å; V157-F295 HydrophobicContact CG2-CZ 4.46Å
158	Q	98.2	Very high	97.9	Very high	39 Å²	39	31.4 Å²	31.4	18%	0.182	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-123.4	139	168.1	-58.3	-69.2	25.1	0	0	110.3	I86 K87 N386	I86-Q158 WeakPolarHBondContact CA-O 3.05Å; I86-Q158 WeakPolarHBondContact CB-O 3.25Å; K87-Q158 HydrophobicContact CB-CB 3.8Å; K87-Q158 HydrophobicContact CB-CG 3.91Å; K87-Q158 HydrophobicContact CD-CG 4.36Å; K87-Q158 PolarHBondContact N-O 3.32Å; K87-Q158 VanDerWaalsContact N-O 3.07Å; K87-Q158 PolarHBondContact O-N 2.74Å; Q158-N386 PolarHBondContact NE2-OD1 3.37Å
159	R	98.6	Very high	97.9	Very high	3 Å²	3	31.5 Å²	31.5	1%	0.011	15%	0.152	C	C	.	.			trans	-80.6	171.7	179.5	67.5	-174.3	176.6	173.1	1.3	111.2	S161 V163 D164 D167 D170 W221	R159-S161 PolarHBondContact O-N 3.24Å; R159-V163 HydrophobicContact CG-CB 4.3Å; R159-D164 VanDerWaalsContact CG-OD1 3.24Å; R159-D164 WeakPolarHBondContact CG-OD1 3.27Å; R159-D164 IonicContact CZ-OD1 2.67Å; R159-D164 IonicContact NE-OD1 3.09Å; R159-D164 PolarHBondContact NE-OD1 2.75Å; R159-D164 IonicContact NH2-OD1 2.74Å; R159-D167 IonicContact CZ-OD2 2.71Å; R159-D167 IonicContact NH1-OD2 2.95Å; R159-D167 PolarHBondContact NH1-OD2 3.06Å; R159-D167 IonicContact NH2-OD2 3.7Å; R159-D167 PolarHBondContact NH2-OD2 3.12Å; R159-D170 IonicContact CZ-OD2 3.47Å; R159-D170 IonicContact NH2-OD2 3.28Å; R159-D170 PolarHBondContact NH2-OD2 2.95Å; R159-W221 HydrophobicContact CB-CD2 3.8Å; R159-W221 HydrophobicContact CB-CE3 4.32Å; R159-W221 HydrophobicContact CB-CG 4.38Å; R159-W221 HydrophobicContact CB-CH2 3.99Å; R159-W221 HydrophobicContact CB-CZ2 3.41Å; R159-W221 VanDerWaalsContact CB-CZ2 3.41Å; R159-W221 HydrophobicContact CB-CZ3 4.4Å
160	P	98.7	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.			trans	-62.1	133.6	178.6	-21.4	32.2	0	0	0	110.2	F62 L84 I86 T162 V163 T275	F62-P160 HydrophobicContact CE1-CB 4.28Å; L84-P160 HydrophobicContact CB-CB 4.24Å; L84-P160 HydrophobicContact CD2-CB 4.28Å; L84-P160 CarbonylContact O-C 3.56Å; L84-P160 WeakPolarHBondContact O-CA 3.38Å; I86-P160 HydrophobicContact CG2-CB 4.15Å; I86-P160 HydrophobicContact CG2-CG 3.65Å; P160-T162 PolarHBondContact O-N 3.49Å; P160-T162 VanDerWaalsContact O-N 3.07Å; P160-V163 HydrophobicContact CB-CG2 4.22Å; P160-V163 HydrophobicContact CG-CG2 4.34Å; P160-V163 VanDerWaalsContact O-CB 3.31Å; P160-V163 WeakPolarHBondContact O-CB 3.45Å; P160-V163 PolarHBondContact O-N 2.84Å; P160-T275 HydrophobicContact CG-CG2 4.41Å
161	S	98.4	Very high	97.9	Very high	40 Å²	40	31.5 Å²	31.5	28%	0.28	15%	0.154	S	C	.	.	H	α-helix	trans	-59	-31	-171.4	-56.7	0	0	0	0	113	L84 R159 V163 D164 F165	L84-S161 PolarHBondContact O-N 2.96Å; R159-S161 PolarHBondContact O-N 3.24Å; S161-V163 PolarHBondContact O-N 2.8Å; S161-D164 WeakPolarHBondContact CA-OD2 3.44Å; S161-D164 WeakPolarHBondContact O-CB 3.37Å; S161-D164 PolarHBondContact O-N 3.47Å; S161-F165 WeakPolarHBondContact O-CD2 3.47Å; S161-F165 PolarHBondContact O-N 2.88Å
162	T	98.6	Very high	97.9	Very high	15 Å²	15	30.8 Å²	30.8	9%	0.092	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-24.2	174.4	-60.3	0	0	0	0	113.6	F62 N63 I67 P160 I166	F62-T162 HydrophobicContact CD1-CG2 3.96Å; F62-T162 HydrophobicContact CE1-CG2 3.77Å; F62-T162 HydrophobicContact CE2-CG2 4.38Å; F62-T162 HydrophobicContact CG-CG2 4.35Å; F62-T162 HydrophobicContact CZ-CG2 3.99Å; F62-T162 WeakPolarHBondContact O-CB 3.27Å; F62-T162 PolarHBondContact O-OG1 3.39Å; N63-T162 WeakPolarHBondContact CA-OG1 3.49Å; I67-T162 HydrophobicContact CD1-CG2 4.41Å; I67-T162 HydrophobicContact CG1-CG2 3.99Å; P160-T162 PolarHBondContact O-N 3.49Å; P160-T162 VanDerWaalsContact O-N 3.07Å; T162-I166 WeakPolarHBondContact O-CG1 3.24Å
163	V	98.7	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-72.8	-41.4	171	-176	0	0	0	0	110.6	F62 R159 P160 S161 F165 I166 D167 F299	F62-V163 HydrophobicContact CE1-CG2 4.45Å; R159-V163 HydrophobicContact CG-CB 4.3Å; P160-V163 HydrophobicContact CB-CG2 4.22Å; P160-V163 HydrophobicContact CG-CG2 4.34Å; P160-V163 VanDerWaalsContact O-CB 3.31Å; P160-V163 WeakPolarHBondContact O-CB 3.45Å; P160-V163 PolarHBondContact O-N 2.84Å; S161-V163 PolarHBondContact O-N 2.8Å; V163-F165 PolarHBondContact O-N 2.86Å; V163-I166 PolarHBondContact O-N 3.42Å; V163-I166 VanDerWaalsContact O-N 3.08Å; V163-D167 HydrophobicContact CG1-CB 4.47Å; V163-D167 WeakPolarHBondContact O-CB 3.47Å; V163-D167 PolarHBondContact O-N 3.1Å; V163-F299 HydrophobicContact CG1-CB 4.15Å; V163-F299 HydrophobicContact CG1-CD1 3.57Å; V163-F299 HydrophobicContact CG1-CD2 4Å; V163-F299 HydrophobicContact CG1-CE1 3.86Å; V163-F299 HydrophobicContact CG1-CE2 4.26Å; V163-F299 HydrophobicContact CG1-CG 3.64Å; V163-F299 HydrophobicContact CG1-CZ 4.19Å; V163-F299 HydrophobicContact CG2-CE1 4.11Å; V163-F299 HydrophobicContact CG2-CZ 4.17Å
164	D	98.1	Very high	98	Very high	53 Å²	53	24.8 Å²	24.8	28%	0.283	13%	0.128	S	C	.	.	H	α-helix	trans	-59.1	-33.6	177.3	-54	-39.5	0	0	0	111.9	R159 S161 I166 N171	R159-D164 VanDerWaalsContact CG-OD1 3.24Å; R159-D164 WeakPolarHBondContact CG-OD1 3.27Å; R159-D164 IonicContact CZ-OD1 2.67Å; R159-D164 IonicContact NE-OD1 3.09Å; R159-D164 PolarHBondContact NE-OD1 2.75Å; R159-D164 IonicContact NH2-OD1 2.74Å; S161-D164 WeakPolarHBondContact CA-OD2 3.44Å; S161-D164 WeakPolarHBondContact O-CB 3.37Å; S161-D164 PolarHBondContact O-N 3.47Å; D164-I166 VanDerWaalsContact C-N 3.34Å; D164-I166 PolarHBondContact O-N 3.12Å; D164-N171 PolarHBondContact O-ND2 3.33Å
165	F	97.9	Very high	97.9	Very high	67 Å²	67	25.6 Å²	25.6	29%	0.294	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.4	177	-77.6	-77.5	0	0	0	114.9	V64 S161 V163 R389 S390	V64-F165 HydrophobicContact CG2-CB 3.59Å; V64-F165 HydrophobicContact CG2-CD1 4.25Å; V64-F165 HydrophobicContact CG2-CD2 4.17Å; V64-F165 HydrophobicContact CG2-CG 3.77Å; S161-F165 WeakPolarHBondContact O-CD2 3.47Å; S161-F165 PolarHBondContact O-N 2.88Å; V163-F165 PolarHBondContact O-N 2.86Å; F165-R389 VanDerWaalsContact CE1-O 3.27Å; F165-R389 WeakPolarHBondContact CE1-O 3.37Å; F165-S390 PolarHBondContact O-OG 2.97Å
166	I	98.3	Very high	98	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.041	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-15.1	-168.1	70.5	179.9	0	0	0	114.7	I67 T162 V163 D164 W168 F299 H301 F303	I67-I166 HydrophobicContact CD1-CD1 4.07Å; I67-I166 HydrophobicContact CG1-CD1 4.16Å; I67-I166 HydrophobicContact CG2-CD1 4.24Å; T162-I166 WeakPolarHBondContact O-CG1 3.24Å; V163-I166 PolarHBondContact O-N 3.42Å; V163-I166 VanDerWaalsContact O-N 3.08Å; D164-I166 VanDerWaalsContact C-N 3.34Å; D164-I166 PolarHBondContact O-N 3.12Å; I166-W168 PolarHBondContact O-N 3.47Å; I166-F299 HydrophobicContact CD1-CE2 3.93Å; I166-F299 HydrophobicContact CG1-CD2 4.46Å; I166-F299 HydrophobicContact CG1-CE2 4.29Å; I166-H301 HydrophobicContact CB-CB 4.2Å; I166-H301 HydrophobicContact CD1-CB 4.21Å; I166-H301 HydrophobicContact CG1-CB 4.12Å; I166-H301 WeakPolarHBondContact O-CB 3.33Å; I166-F303 HydrophobicContact CG2-CE2 4.18Å
167	D	98.8	Very high	97.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.108	C	C	.	.			trans	-65.2	126.4	179.8	177.6	18.5	0	0	0	111.5	R159 V163 V169 D170 N171 Q197 F299 L300	R159-D167 IonicContact CZ-OD2 2.71Å; R159-D167 IonicContact NH1-OD2 2.95Å; R159-D167 PolarHBondContact NH1-OD2 3.06Å; R159-D167 IonicContact NH2-OD2 3.7Å; R159-D167 PolarHBondContact NH2-OD2 3.12Å; V163-D167 HydrophobicContact CG1-CB 4.47Å; V163-D167 WeakPolarHBondContact O-CB 3.47Å; V163-D167 PolarHBondContact O-N 3.1Å; D167-V169 VanDerWaalsContact C-N 3.26Å; D167-V169 PolarHBondContact O-N 2.96Å; D167-V169 PolarHBondContact OD1-N 3.13Å; D167-D170 PolarHBondContact O-N 3.2Å; D167-N171 WeakPolarHBondContact O-CB 3.26Å; D167-N171 PolarHBondContact O-N 3.25Å; D167-N171 VanDerWaalsContact O-N 3.13Å; D167-N171 PolarHBondContact O-ND2 2.59Å; D167-Q197 PolarHBondContact OD2-NE2 3.43Å; D167-F299 HydrophobicContact CB-CB 3.97Å; D167-L300 WeakPolarHBondContact CA-O 3.36Å
168	W	98.8	Very high	97.8	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-58.4	-32.1	176.3	-75.9	2.3	0	0	0	114.1	I166 M172 W173 L300 H301 S302 I305 Q308 M332 V336 L464	I166-W168 PolarHBondContact O-N 3.47Å; W168-M172 HydrophobicContact CB-CB 4.47Å; W168-M172 HydrophobicContact CB-CG 4.05Å; W168-M172 HydrophobicContact CG-CG 4.05Å; W168-M172 WeakPolarHBondContact O-CA 3.5Å; W168-M172 WeakPolarHBondContact O-CB 3.49Å; W168-M172 PolarHBondContact O-N 2.94Å; W168-W173 PolarHBondContact O-N 2.85Å; W168-L300 HydrophobicContact CB-CB 4.12Å; W168-L300 HydrophobicContact CD2-CB 3.6Å; W168-L300 HydrophobicContact CE3-CB 3.39Å; W168-L300 HydrophobicContact CE3-CD1 3.62Å; W168-L300 HydrophobicContact CE3-CG 4.12Å; W168-L300 HydrophobicContact CG-CB 3.91Å; W168-L300 HydrophobicContact CZ3-CB 4.11Å; W168-L300 HydrophobicContact CZ3-CD1 3.95Å; W168-L300 PolarHBondContact N-O 3.15Å; W168-H301 VanDerWaalsContact NE1-C 3.32Å; W168-S302 VanDerWaalsContact NE1-N 3.19Å; W168-S302 PolarHBondContact NE1-OG 2.92Å; W168-I305 HydrophobicContact CH2-CD1 4.31Å; W168-I305 HydrophobicContact CH2-CG1 4.16Å; W168-I305 HydrophobicContact CH2-CG2 4.08Å; W168-I305 HydrophobicContact CZ2-CD1 3.73Å; W168-I305 HydrophobicContact CZ2-CG1 3.71Å; W168-I305 HydrophobicContact CZ2-CG2 4.48Å; W168-Q308 VanDerWaalsContact CH2-NE2 3.29Å; W168-M332 HydrophobicContact CB-CE 4.23Å; W168-M332 HydrophobicContact CB-CG 4.16Å; W168-M332 HydrophobicContact CB-SD 3.86Å; W168-M332 HydrophobicContact CD2-CG 4.37Å; W168-M332 HydrophobicContact CE3-CG 3.65Å; W168-M332 HydrophobicContact CZ3-CG 4.38Å; W168-V336 HydrophobicContact CD2-CG2 3.55Å; W168-V336 HydrophobicContact CE3-CG2 3.85Å; W168-V336 HydrophobicContact CG-CG2 4.01Å; W168-V336 HydrophobicContact CH2-CG2 4.05Å; W168-V336 HydrophobicContact CZ2-CB 4.46Å; W168-V336 HydrophobicContact CZ2-CG1 4.01Å; W168-V336 HydrophobicContact CZ2-CG2 3.77Å; W168-V336 HydrophobicContact CZ3-CG2 4.09Å; W168-L464 HydrophobicContact CH2-CD2 4.43Å
169	V	98.6	Very high	97.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-64.5	-43.7	179.5	175.3	0	0	0	0	112.1	D167 W173 K178 Y193 P194 Q197 Y326 M332	D167-V169 VanDerWaalsContact C-N 3.26Å; D167-V169 PolarHBondContact O-N 2.96Å; D167-V169 PolarHBondContact OD1-N 3.13Å; V169-W173 WeakPolarHBondContact O-CB 3.32Å; V169-K178 HydrophobicContact CG1-CD 4.35Å; V169-Y193 HydrophobicContact CG1-CD2 3.46Å; V169-Y193 VanDerWaalsContact CG1-CD2 3.46Å; V169-Y193 HydrophobicContact CG1-CE2 3.8Å; V169-P194 HydrophobicContact CG2-CB 4.12Å; V169-P194 HydrophobicContact CG2-CG 4.48Å; V169-Q197 HydrophobicContact CB-CG 4.17Å; V169-Q197 VanDerWaalsContact CG1-CD 3.46Å; V169-Q197 HydrophobicContact CG1-CG 4.04Å; V169-Q197 HydrophobicContact CG2-CG 4.38Å; V169-Y326 WeakPolarHBondContact CG2-OH 3.45Å; V169-M332 HydrophobicContact CG2-CE 4.03Å
170	D	97.3	Very high	97.5	Very high	45 Å²	45	31.4 Å²	31.4	24%	0.241	16%	0.16	C	C	.	.	H	α-helix	trans	-81.9	-28.4	-177.9	-70.3	-11.1	0	0	0	113.2	R159 D167 K178 Q197	R159-D170 IonicContact CZ-OD2 3.47Å; R159-D170 IonicContact NH2-OD2 3.28Å; R159-D170 PolarHBondContact NH2-OD2 2.95Å; D167-D170 PolarHBondContact O-N 3.2Å; D170-K178 IonicContact OD1-NZ 3.43Å; D170-K178 PolarHBondContact OD1-NZ 3.01Å; D170-Q197 VanDerWaalsContact CG-NE2 3.31Å; D170-Q197 PolarHBondContact OD1-NE2 2.93Å; D170-Q197 PolarHBondContact OD2-NE2 3.47Å
171	N	97.8	Very high	97.5	Very high	10 Å²	10	31.8 Å²	31.8	5%	0.053	16%	0.162	C	C	.	.	H	α-helix	trans	-104.1	-17.6	-170.9	-63.7	-78.8	0	0	0	114.3	D164 D167 S390 T393	D164-N171 PolarHBondContact O-ND2 3.33Å; D167-N171 WeakPolarHBondContact O-CB 3.26Å; D167-N171 PolarHBondContact O-N 3.25Å; D167-N171 VanDerWaalsContact O-N 3.13Å; D167-N171 PolarHBondContact O-ND2 2.59Å; N171-S390 WeakPolarHBondContact OD1-CB 3.26Å; N171-S390 PolarHBondContact OD1-OG 3.17Å; N171-T393 HydrophobicContact CB-CG2 4.1Å; N171-T393 WeakPolarHBondContact OD1-CG2 3.44Å
172	M	97.9	Very high	97.3	Very high	6 Å²	6	36 Å²	36	3%	0.03	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-35.9	-172	-43.3	-72.5	175.1	0	0	113.6	W168 M332 Y335 V336 R339 Y340 L392	W168-M172 HydrophobicContact CB-CB 4.47Å; W168-M172 HydrophobicContact CB-CG 4.05Å; W168-M172 HydrophobicContact CG-CG 4.05Å; W168-M172 WeakPolarHBondContact O-CA 3.5Å; W168-M172 WeakPolarHBondContact O-CB 3.49Å; W168-M172 PolarHBondContact O-N 2.94Å; M172-M332 HydrophobicContact CB-SD 3.87Å; M172-Y335 WeakPolarHBondContact O-CB 3.42Å; M172-V336 HydrophobicContact CB-CG2 4.03Å; M172-V336 HydrophobicContact CG-CG2 3.82Å; M172-V336 HydrophobicContact SD-CG2 4.32Å; M172-R339 HydrophobicContact CB-CG 4.22Å; M172-R339 HydrophobicContact SD-CB 3.73Å; M172-R339 HydrophobicContact SD-CG 3.77Å; M172-Y340 HydrophobicContact CE-CE2 4.32Å; M172-L392 HydrophobicContact CE-CD1 4.17Å
173	W	98.4	Very high	97.3	Very high	20 Å²	20	38.4 Å²	38.4	8%	0.076	20%	0.196	C	C	.	.	S	Bend	trans	-69	142.4	177	-158.7	-102.7	0	0	0	111.7	W168 V169 R175 L177 Q192 Y193 P194 F328 E331 M332 Y335	W168-W173 PolarHBondContact O-N 2.85Å; V169-W173 WeakPolarHBondContact O-CB 3.32Å; W173-R175 PolarHBondContact O-N 2.95Å; W173-R175 VanDerWaalsContact O-N 3.11Å; W173-L177 HydrophobicContact CZ2-CD1 4.34Å; W173-Q192 WeakPolarHBondContact CZ2-O 3.38Å; W173-Q192 PolarHBondContact NE1-O 3.1Å; W173-Y193 VanDerWaalsContact CD1-CB 3.43Å; W173-Y193 VanDerWaalsContact NE1-CB 3.28Å; W173-P194 HydrophobicContact CE3-CG 4.4Å; W173-P194 HydrophobicContact CZ3-CG 4.41Å; W173-F328 HydrophobicContact CH2-CB 3.69Å; W173-F328 HydrophobicContact CH2-CD2 4.23Å; W173-F328 HydrophobicContact CH2-CG 4.04Å; W173-F328 HydrophobicContact CZ3-CB 4.01Å; W173-E331 HydrophobicContact CH2-CB 4.25Å; W173-E331 HydrophobicContact CZ3-CB 4.17Å; W173-M332 HydrophobicContact CB-CE 4.08Å; W173-M332 HydrophobicContact CD2-CE 4.35Å; W173-M332 HydrophobicContact CE3-CE 3.68Å; W173-M332 HydrophobicContact CE3-SD 4.12Å; W173-M332 HydrophobicContact CZ3-CB 4.44Å; W173-Y335 HydrophobicContact CD2-CD2 4.4Å; W173-Y335 HydrophobicContact CD2-CE2 4.39Å; W173-Y335 AromaticContact CE3-CD2 3.71Å; W173-Y335 HydrophobicContact CE3-CD2 3.71Å; W173-Y335 AromaticContact CE3-CE2 3.96Å; W173-Y335 HydrophobicContact CE3-CE2 3.96Å; W173-Y335 HydrophobicContact CH2-CE2 4.14Å; W173-Y335 AromaticContact CZ3-CD2 3.82Å; W173-Y335 HydrophobicContact CZ3-CD2 3.82Å; W173-Y335 AromaticContact CZ3-CE2 3.84Å; W173-Y335 HydrophobicContact CZ3-CE2 3.84Å
174	P	97.7	Very high	97	Very high	17 Å²	17	39.8 Å²	39.8	11%	0.11	21%	0.206	C	C	.	.			trans	-57.9	117	173.5	-26.7	36.2	0	0	0	111.9	H176 L177 K178 Y335 F354	P174-H176 VanDerWaalsContact C-N 3.34Å; P174-H176 PolarHBondContact O-N 3.18Å; P174-L177 HydrophobicContact CB-CD1 4.08Å; P174-L177 HydrophobicContact CB-CG 4.17Å; P174-L177 HydrophobicContact CG-CD1 4.2Å; P174-L177 WeakPolarHBondContact O-CB 3.39Å; P174-L177 PolarHBondContact O-N 3.39Å; P174-K178 PolarHBondContact O-N 3.32Å; P174-Y335 HydrophobicContact CG-CD1 4.03Å; P174-Y335 HydrophobicContact CG-CD2 4.39Å; P174-Y335 HydrophobicContact CG-CE1 3.55Å; P174-Y335 HydrophobicContact CG-CE2 3.93Å; P174-Y335 HydrophobicContact CG-CG 4.43Å; P174-Y335 VanDerWaalsContact CG-CZ 3.48Å; P174-F354 HydrophobicContact CB-CD1 4.04Å; P174-F354 HydrophobicContact CB-CE1 4.02Å; P174-F354 HydrophobicContact CG-CD1 3.93Å; P174-F354 HydrophobicContact CG-CE1 3.86Å
175	R	96.1	Very high	96.9	Very high	56 Å²	56	39.2 Å²	39.2	21%	0.211	20%	0.204	C	C	.	.	H	α-helix	trans	-54.7	-43.5	-171.5	-66.9	172.5	-73.8	-178.1	-7.1	113.5	W173 L177 K178 E179 S358 M361 D362	W173-R175 PolarHBondContact O-N 2.95Å; W173-R175 VanDerWaalsContact O-N 3.11Å; R175-L177 PolarHBondContact O-N 3.03Å; R175-K178 WeakPolarHBondContact O-CA 3.24Å; R175-K178 WeakPolarHBondContact O-CB 3.4Å; R175-K178 PolarHBondContact O-N 3.02Å; R175-E179 PolarHBondContact O-N 3.26Å; R175-S358 PolarHBondContact NH2-O 2.98Å; R175-S358 PolarHBondContact NH2-OG 2.79Å; R175-M361 HydrophobicContact CB-CE 3.46Å; R175-M361 VanDerWaalsContact CB-CE 3.46Å; R175-M361 HydrophobicContact CB-SD 3.62Å; R175-D362 IonicContact CZ-OD1 2.73Å; R175-D362 VanDerWaalsContact CZ-OD1 3.23Å; R175-D362 IonicContact NH1-OD1 3.78Å; R175-D362 PolarHBondContact NH1-OD1 3.44Å; R175-D362 IonicContact NH2-OD1 3.23Å; R175-D362 PolarHBondContact NH2-OD1 3.15Å; R175-D362 IonicContact NH2-OD2 3.33Å; R175-D362 PolarHBondContact NH2-OD2 3.48Å; R175-D362 VanDerWaalsContact NH2-OD2 3.16Å
176	H	94.9	Very high	96.8	Very high	37 Å²	37	38.9 Å²	38.9	17%	0.171	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-30.9	178.5	69.4	-93.4	0	0	0	113.3	P174 S180 F354 E357 M361	P174-H176 VanDerWaalsContact C-N 3.34Å; P174-H176 PolarHBondContact O-N 3.18Å; H176-S180 WeakPolarHBondContact O-CB 3.29Å; H176-S180 PolarHBondContact O-N 3.35Å; H176-S180 PolarHBondContact O-OG 3.26Å; H176-F354 AromaticContact CE1-CD1 3.64Å; H176-F354 AromaticContact CE1-CE1 3.76Å; H176-F354 AromaticContact NE2-CE1 3.86Å; H176-F354 AromaticContact NE2-CZ 3.97Å; H176-E357 HydrophobicContact CB-CB 4.35Å; H176-E357 WeakPolarHBondContact ND1-CB 3.19Å; H176-M361 HydrophobicContact CB-SD 3.83Å; H176-M361 PolarHBondContact N-SD 3.22Å; H176-M361 VanDerWaalsContact N-SD 3.42Å
177	L	96.7	Very high	96.6	Very high	33 Å²	33	40.6 Å²	40.6	17%	0.173	22%	0.221	C	C	.	.	H	α-helix	trans	-72.5	-37.6	173.5	-62.1	-179.2	0	0	0	111.3	W173 P174 R175 S180 Q192 F354	W173-L177 HydrophobicContact CZ2-CD1 4.34Å; P174-L177 HydrophobicContact CB-CD1 4.08Å; P174-L177 HydrophobicContact CB-CG 4.17Å; P174-L177 HydrophobicContact CG-CD1 4.2Å; P174-L177 WeakPolarHBondContact O-CB 3.39Å; P174-L177 PolarHBondContact O-N 3.39Å; R175-L177 PolarHBondContact O-N 3.03Å; L177-S180 PolarHBondContact O-OG 3.02Å; L177-Q192 WeakPolarHBondContact O-CB 3.3Å; L177-F354 HydrophobicContact CD1-CE1 3.98Å; L177-F354 HydrophobicContact CD1-CZ 4.27Å; L177-F354 HydrophobicContact CG-CE1 4.49Å
178	K	96.4	Very high	96.4	Very high	48 Å²	48	45.1 Å²	45.1	21%	0.209	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-46.3	174.6	-167.8	-169.8	-179.7	-169.2	0	111	V169 D170 P174 R175 S180 Q181 Y193	V169-K178 HydrophobicContact CG1-CD 4.35Å; D170-K178 IonicContact OD1-NZ 3.43Å; D170-K178 PolarHBondContact OD1-NZ 3.01Å; P174-K178 PolarHBondContact O-N 3.32Å; R175-K178 WeakPolarHBondContact O-CA 3.24Å; R175-K178 WeakPolarHBondContact O-CB 3.4Å; R175-K178 PolarHBondContact O-N 3.02Å; K178-S180 VanDerWaalsContact C-N 3.3Å; K178-S180 PolarHBondContact O-N 3.02Å; K178-Q181 VanDerWaalsContact O-CB 3.24Å; K178-Q181 WeakPolarHBondContact O-CB 3.33Å; K178-Q181 PolarHBondContact O-N 3.14Å; K178-Y193 HydrophobicContact CB-CD1 4.18Å; K178-Y193 HydrophobicContact CB-CG 4.25Å; K178-Y193 HydrophobicContact CG-CD1 3.68Å; K178-Y193 HydrophobicContact CG-CD2 4.08Å; K178-Y193 HydrophobicContact CG-CE1 3.81Å; K178-Y193 HydrophobicContact CG-CE2 4.23Å; K178-Y193 HydrophobicContact CG-CG 3.82Å
179	E	94.3	Very high	96.2	Very high	140 Å²	140	52.6 Å²	52.6	65%	0.654	28%	0.284	S	S	*	.	H	α-helix	trans	-71.4	-21.6	-178.5	-69.4	-179.4	-164.6	0	0	113.7	R175 Q181 M361	R175-E179 PolarHBondContact O-N 3.26Å; E179-Q181 VanDerWaalsContact C-N 3.25Å; E179-Q181 PolarHBondContact O-N 3.07Å; E179-M361 HydrophobicContact CG-CE 4.28Å; E179-M361 WeakPolarHBondContact OE1-CE 3.49Å; E179-M361 WeakPolarHBondContact OE2-CE 3.33Å
180	S	96.2	Very high	96	Very high	61 Å²	61	57.7 Å²	57.7	43%	0.427	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.8	172.2	73.6	0	0	0	0	114	H176 L177 K178 T182	H176-S180 WeakPolarHBondContact O-CB 3.29Å; H176-S180 PolarHBondContact O-N 3.35Å; H176-S180 PolarHBondContact O-OG 3.26Å; L177-S180 PolarHBondContact O-OG 3.02Å; K178-S180 VanDerWaalsContact C-N 3.3Å; K178-S180 PolarHBondContact O-N 3.02Å; S180-T182 PolarHBondContact O-N 3.21Å
181	Q	97.6	Very high	96	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.037	30%	0.299	C	S	.	.			trans	-63.5	128.7	174	-175.4	70.3	44.5	0	0	110.8	H150 K178 E179 E183 E190 Y193 K195	H150-Q181 PolarHBondContact CD2-O 2.9Å; K178-Q181 VanDerWaalsContact O-CB 3.24Å; K178-Q181 WeakPolarHBondContact O-CB 3.33Å; K178-Q181 PolarHBondContact O-N 3.14Å; E179-Q181 VanDerWaalsContact C-N 3.25Å; E179-Q181 PolarHBondContact O-N 3.07Å; Q181-E183 PolarHBondContact NE2-O 3.09Å; Q181-E190 PolarHBondContact NE2-O 3.32Å; Q181-E190 VanDerWaalsContact NE2-O 3.15Å; Q181-E190 PolarHBondContact OE1-O 2.66Å; Q181-Y193 HydrophobicContact CB-CD1 3.95Å; Q181-Y193 HydrophobicContact CB-CE1 3.65Å; Q181-Y193 HydrophobicContact CG-CD1 4.27Å; Q181-Y193 HydrophobicContact CG-CE1 3.71Å; Q181-K195 HydrophobicContact CG-CD 4.36Å
182	T	95.1	Very high	96	Very high	129 Å²	129	59.1 Å²	59.1	79%	0.791	31%	0.312	S	S	*	.			trans	-126.9	-31.9	176.7	50.2	0	0	0	0	112.7	S180 S184	S180-T182 PolarHBondContact O-N 3.21Å; T182-S184 PolarHBondContact O-N 2.86Å
183	E	96.9	Very high	96	Very high	64 Å²	64	58.8 Å²	58.8	30%	0.299	31%	0.311	S	S	.	.			trans	-68.4	130.3	175.8	179.4	48.7	-113.8	0	0	110.8	Q181 T185 E190 K195	Q181-E183 PolarHBondContact NE2-O 3.09Å; E183-T185 WeakPolarHBondContact CG-OG1 3.18Å; E183-T185 VanDerWaalsContact OE1-CB 3.31Å; E183-T185 WeakPolarHBondContact OE1-CB 3.5Å; E183-T185 WeakPolarHBondContact OE1-CG2 3.49Å; E183-T185 PolarHBondContact OE1-N 2.78Å; E183-T185 PolarHBondContact OE1-OG1 2.73Å; E183-E190 HydrophobicContact CB-CB 3.69Å; E183-E190 HydrophobicContact CB-CG 4.42Å; E183-E190 HydrophobicContact CG-CB 3.89Å; E183-E190 HydrophobicContact CG-CG 4.31Å; E183-K195 WeakPolarHBondContact O-CE 3.43Å
184	S	93.4	Very high	96	Very high	29 Å²	29	57.9 Å²	57.9	20%	0.203	31%	0.307	C	S	.	.			trans	-96.2	-14.1	-172.7	73.4	0	0	0	0	114.1	R106 H150 T182 K195	R106-S184 VanDerWaalsContact CZ-O 3.3Å; R106-S184 PolarHBondContact NH1-O 2.7Å; R106-S184 PolarHBondContact NH2-O 2.71Å; H150-S184 VanDerWaalsContact O-CB 3.23Å; H150-S184 WeakPolarHBondContact O-CB 3.46Å; T182-S184 PolarHBondContact O-N 2.86Å; S184-K195 PolarHBondContact O-NZ 3.19Å
185	T	95.8	Very high	96	Very high	41 Å²	41	57 Å²	57	25%	0.252	30%	0.302	S	S	.	.	S	Bend	trans	-80.7	-167.7	169.8	63.6	0	0	0	0	111.1	R106 E183 K195	R106-T185 HydrophobicContact CG-CG2 4.37Å; E183-T185 WeakPolarHBondContact CG-OG1 3.18Å; E183-T185 VanDerWaalsContact OE1-CB 3.31Å; E183-T185 WeakPolarHBondContact OE1-CB 3.5Å; E183-T185 WeakPolarHBondContact OE1-CG2 3.49Å; E183-T185 PolarHBondContact OE1-N 2.78Å; E183-T185 PolarHBondContact OE1-OG1 2.73Å; T185-K195 PolarHBondContact O-NZ 3.37Å
186	N	95.9	Very high	96.1	Very high	60 Å²	60	54.5 Å²	54.5	32%	0.321	29%	0.293	S	S	.	.			trans	-113.8	30.6	177.7	-68.3	70.1	0	0	0	111.1	E147 I188 M191 K195	E147-N186 WeakPolarHBondContact CB-OD1 3.45Å; N186-I188 PolarHBondContact O-N 2.71Å; N186-I188 VanDerWaalsContact O-N 3.08Å; N186-M191 HydrophobicContact CB-CE 4.04Å; N186-K195 PolarHBondContact ND2-O 3.2Å
187	A	94.6	Very high	96.3	Very high	45 Å²	45	53 Å²	53	37%	0.372	29%	0.286	S	S	.	.			trans	-64.5	106.9	175.9	0	0	0	0	0	110.4	L189 E190 M191	A187-L189 PolarHBondContact O-N 2.88Å; A187-E190 HydrophobicContact CB-CG 4.45Å; A187-E190 PolarHBondContact O-N 3Å; A187-M191 PolarHBondContact O-N 3.09Å
188	I	93.8	Very high	96.4	Very high	96 Å²	96	52.2 Å²	52.2	49%	0.492	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.7	-170.1	-166.8	60.2	0	0	0	114.8	N186 M191 P327 F328	N186-I188 PolarHBondContact O-N 2.71Å; N186-I188 VanDerWaalsContact O-N 3.08Å; I188-M191 HydrophobicContact CD1-CE 4.45Å; I188-M191 HydrophobicContact CD1-SD 4.08Å; I188-P327 HydrophobicContact CD1-CB 4.07Å; I188-F328 HydrophobicContact CD1-CE1 4.42Å; I188-F328 HydrophobicContact CD1-CE2 4.43Å; I188-F328 HydrophobicContact CD1-CZ 3.97Å
189	L	94.6	Very high	96.5	Very high	157 Å²	157	51 Å²	51	82%	0.822	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-26.3	178.9	-62.1	178.2	0	0	0	113.5	A187	A187-L189 PolarHBondContact O-N 2.88Å
190	E	95.6	Very high	96.7	Very high	109 Å²	109	44.3 Å²	44.3	51%	0.509	24%	0.244	S	C	.	.	S	Bend	trans	-98.8	0.8	179.3	-52.2	-57.4	147.6	0	0	111.8	Q181 E183 A187 Q192	Q181-E190 PolarHBondContact NE2-O 3.32Å; Q181-E190 VanDerWaalsContact NE2-O 3.15Å; Q181-E190 PolarHBondContact OE1-O 2.66Å; E183-E190 HydrophobicContact CB-CB 3.69Å; E183-E190 HydrophobicContact CB-CG 4.42Å; E183-E190 HydrophobicContact CG-CB 3.89Å; E183-E190 HydrophobicContact CG-CG 4.31Å; A187-E190 HydrophobicContact CB-CG 4.45Å; A187-E190 PolarHBondContact O-N 3Å; E190-Q192 PolarHBondContact O-NE2 3.24Å
191	M	96.8	Very high	96.8	Very high	13 Å²	13	42.2 Å²	42.2	6%	0.064	23%	0.228	C	C	.	.			trans	-88.8	115.8	-171.8	-167.9	-175.5	-66.4	0	0	110.9	N186 A187 I188 Y193 K195 P327 F328	N186-M191 HydrophobicContact CB-CE 4.04Å; A187-M191 PolarHBondContact O-N 3.09Å; I188-M191 HydrophobicContact CD1-CE 4.45Å; I188-M191 HydrophobicContact CD1-SD 4.08Å; M191-Y193 WeakPolarHBondContact CG-O 3.26Å; M191-K195 HydrophobicContact CE-CB 4.18Å; M191-K195 HydrophobicContact CG-CB 4.16Å; M191-K195 HydrophobicContact SD-CB 4.11Å; M191-P327 HydrophobicContact CE-CG 4.38Å; M191-P327 HydrophobicContact SD-CB 3.67Å; M191-P327 HydrophobicContact SD-CG 3.73Å; M191-F328 HydrophobicContact CB-CE2 4.24Å; M191-F328 HydrophobicContact CB-CZ 4.34Å; M191-F328 HydrophobicContact CG-CE2 3.91Å; M191-F328 HydrophobicContact CG-CZ 4.49Å; M191-F328 VanDerWaalsContact O-CZ 3.29Å; M191-F328 WeakPolarHBondContact O-CZ 3.31Å; M191-F328 HydrophobicContact SD-CE2 3.98Å
192	Q	96.9	Very high	96.9	Very high	72 Å²	72	41.9 Å²	41.9	34%	0.336	23%	0.226	S	C	.	.	S	Bend	trans	-96.3	-12	-175.3	-51.7	-50	-52	0	0	113.8	W173 L177 E190	W173-Q192 WeakPolarHBondContact CZ2-O 3.38Å; W173-Q192 PolarHBondContact NE1-O 3.1Å; L177-Q192 WeakPolarHBondContact O-CB 3.3Å; E190-Q192 PolarHBondContact O-NE2 3.24Å
193	Y	98.3	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-153	166.3	176.1	77.1	-86.2	0	0	0	110.1	H150 V169 W173 K178 Q181 M191 K195	H150-Y193 AromaticContact CE1-CE1 3.78Å; H150-Y193 AromaticContact CE1-CZ 3.93Å; H150-Y193 PolarHBondContact CE1-OH 2.88Å; V169-Y193 HydrophobicContact CG1-CD2 3.46Å; V169-Y193 VanDerWaalsContact CG1-CD2 3.46Å; V169-Y193 HydrophobicContact CG1-CE2 3.8Å; W173-Y193 VanDerWaalsContact CD1-CB 3.43Å; W173-Y193 VanDerWaalsContact NE1-CB 3.28Å; K178-Y193 HydrophobicContact CB-CD1 4.18Å; K178-Y193 HydrophobicContact CB-CG 4.25Å; K178-Y193 HydrophobicContact CG-CD1 3.68Å; K178-Y193 HydrophobicContact CG-CD2 4.08Å; K178-Y193 HydrophobicContact CG-CE1 3.81Å; K178-Y193 HydrophobicContact CG-CE2 4.23Å; K178-Y193 HydrophobicContact CG-CG 3.82Å; Q181-Y193 HydrophobicContact CB-CD1 3.95Å; Q181-Y193 HydrophobicContact CB-CE1 3.65Å; Q181-Y193 HydrophobicContact CG-CD1 4.27Å; Q181-Y193 HydrophobicContact CG-CE1 3.71Å; M191-Y193 WeakPolarHBondContact CG-O 3.26Å; Y193-K195 HydrophobicContact CE1-CB 4.45Å; Y193-K195 HydrophobicContact CE2-CB 4.1Å; Y193-K195 PolarHBondContact O-N 2.89Å
194	P	98.3	Very high	97.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.			trans	-64.7	90.7	176.2	-20.4	33.6	0	0	0	113	V169 W173 V196 Y326 P327 F328 M332	V169-P194 HydrophobicContact CG2-CB 4.12Å; V169-P194 HydrophobicContact CG2-CG 4.48Å; W173-P194 HydrophobicContact CE3-CG 4.4Å; W173-P194 HydrophobicContact CZ3-CG 4.41Å; P194-V196 VanDerWaalsContact C-N 3.32Å; P194-V196 PolarHBondContact O-N 3.13Å; P194-Y326 HydrophobicContact CB-CD1 4.4Å; P194-Y326 HydrophobicContact CB-CE1 3.51Å; P194-Y326 WeakPolarHBondContact CB-OH 3.29Å; P194-Y326 HydrophobicContact CG-CE1 3.71Å; P194-P327 HydrophobicContact CB-CB 4.49Å; P194-P327 WeakPolarHBondContact CG-O 3.3Å; P194-F328 HydrophobicContact CG-CB 4.34Å; P194-F328 HydrophobicContact CG-CD2 4.18Å; P194-M332 HydrophobicContact CG-CE 3.88Å
195	K	98.3	Very high	97.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.			trans	-78.7	77	-175.8	-173.9	168.5	-179	-60.8	0	111.4	E147 S149 Q181 E183 S184 T185 N186 M191 Y193	E147-K195 WeakPolarHBondContact OE2-CG 3.46Å; E147-K195 IonicContact OE2-NZ 3.73Å; E147-K195 PolarHBondContact OE2-NZ 2.75Å; S149-K195 VanDerWaalsContact O-CE 3.23Å; S149-K195 WeakPolarHBondContact O-CE 3.21Å; S149-K195 PolarHBondContact O-NZ 3.43Å; S149-K195 VanDerWaalsContact O-NZ 3.13Å; Q181-K195 HydrophobicContact CG-CD 4.36Å; E183-K195 WeakPolarHBondContact O-CE 3.43Å; S184-K195 PolarHBondContact O-NZ 3.19Å; T185-K195 PolarHBondContact O-NZ 3.37Å; N186-K195 PolarHBondContact ND2-O 3.2Å; M191-K195 HydrophobicContact CE-CB 4.18Å; M191-K195 HydrophobicContact CG-CB 4.16Å; M191-K195 HydrophobicContact SD-CB 4.11Å; Y193-K195 HydrophobicContact CE1-CB 4.45Å; Y193-K195 HydrophobicContact CE2-CB 4.1Å; Y193-K195 PolarHBondContact O-N 2.89Å
196	V	98.4	Very high	97.4	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	18%	0.183	C	C	.	.			trans	-136.4	13.4	-173.8	-56.1	0	0	0	0	113.6	P194 Y199 F215 N298 Y326 P327	P194-V196 VanDerWaalsContact C-N 3.32Å; P194-V196 PolarHBondContact O-N 3.13Å; V196-Y199 HydrophobicContact CB-CE2 4.08Å; V196-Y199 WeakPolarHBondContact O-CE2 3.48Å; V196-F215 HydrophobicContact CB-CE2 4.03Å; V196-F215 HydrophobicContact CB-CZ 3.93Å; V196-F215 HydrophobicContact CG1-CE2 3.78Å; V196-F215 HydrophobicContact CG1-CZ 3.91Å; V196-F215 HydrophobicContact CG2-CE2 4.33Å; V196-N298 HydrophobicContact CB-CB 4.43Å; V196-N298 HydrophobicContact CG2-CB 4.41Å; V196-N298 PolarHBondContact O-N 3.01Å; V196-N298 VanDerWaalsContact O-N 3.14Å; V196-Y326 HydrophobicContact CG2-CD2 4.47Å; V196-Y326 HydrophobicContact CG2-CE2 3.77Å; V196-P327 HydrophobicContact CG1-CG 4.33Å
197	Q	98.3	Very high	97.6	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.028	17%	0.167	C	C	.	.	S	Bend	trans	-85.5	-31.1	-165.9	-63.4	-172.2	-66.1	0	0	114.2	E147 D167 V169 D170 G297	E147-Q197 PolarHBondContact OE1-N 3.19Å; D167-Q197 PolarHBondContact OD2-NE2 3.43Å; V169-Q197 HydrophobicContact CB-CG 4.17Å; V169-Q197 VanDerWaalsContact CG1-CD 3.46Å; V169-Q197 HydrophobicContact CG1-CG 4.04Å; V169-Q197 HydrophobicContact CG2-CG 4.38Å; D170-Q197 VanDerWaalsContact CG-NE2 3.31Å; D170-Q197 PolarHBondContact OD1-NE2 2.93Å; D170-Q197 PolarHBondContact OD2-NE2 3.47Å; Q197-G297 VanDerWaalsContact O-CA 3.28Å; Q197-G297 WeakPolarHBondContact O-CA 3.42Å
198	K	98.7	Very high	97.7	Very high	15 Å²	15	30.6 Å²	30.6	7%	0.065	15%	0.15	C	C	.	.			trans	-136.1	101.4	-172.8	-67.6	-173.1	180	-173.2	0	111.8	E147 F148 E154 V157	E147-K198 CarbonylContact C-O 3.6Å; E147-K198 VanDerWaalsContact CA-O 3.27Å; E147-K198 WeakPolarHBondContact CA-O 3.29Å; E147-K198 WeakPolarHBondContact CG-O 3.4Å; E147-K198 PolarHBondContact OE1-N 3.41Å; F148-K198 HydrophobicContact CD1-CB 4.47Å; F148-K198 VanDerWaalsContact CD1-O 3.26Å; F148-K198 WeakPolarHBondContact CD1-O 3.49Å; F148-K198 HydrophobicContact CD2-CB 4.38Å; F148-K198 HydrophobicContact CE1-CB 4.02Å; F148-K198 HydrophobicContact CE2-CB 3.93Å; F148-K198 HydrophobicContact CE2-CD 4.17Å; F148-K198 HydrophobicContact CZ-CB 3.72Å; F148-K198 HydrophobicContact CZ-CD 4.48Å; F148-K198 PolarHBondContact N-O 2.96Å; E154-K198 HydrophobicContact CG-CD 4.13Å; E154-K198 PolarHBondContact O-NZ 2.63Å; V157-K198 WeakPolarHBondContact O-CE 3.41Å; V157-K198 PolarHBondContact O-NZ 3.32Å
199	Y	98.8	Very high	97.9	Very high	23 Å²	23	26.6 Å²	26.6	9%	0.09	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.9	178.7	-71.9	-78.7	0	0	0	112.6	L146 E147 V196 F215 G296 N298	L146-Y199 WeakPolarHBondContact O-CA 3.11Å; E147-Y199 HydrophobicContact CB-CD1 3.82Å; E147-Y199 HydrophobicContact CB-CE1 3.55Å; E147-Y199 HydrophobicContact CG-CD1 4.01Å; E147-Y199 HydrophobicContact CG-CD2 4.49Å; E147-Y199 HydrophobicContact CG-CE1 3.73Å; E147-Y199 HydrophobicContact CG-CE2 4.24Å; E147-Y199 HydrophobicContact CG-CG 4.38Å; V196-Y199 HydrophobicContact CB-CE2 4.08Å; V196-Y199 WeakPolarHBondContact O-CE2 3.48Å; Y199-F215 HydrophobicContact CE2-CZ 4.34Å; Y199-G296 PolarHBondContact N-O 2.79Å; Y199-G296 PolarHBondContact O-N 3.37Å; Y199-N298 HydrophobicContact CE2-CB 4.39Å
200	C	98.8	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.2	167.7	178.1	0	0	0	0	108	L146 F148 V294 F295	L146-C200 HydrophobicContact CB-CB 4.46Å; L146-C200 WeakPolarHBondContact CB-O 3.46Å; L146-C200 HydrophobicContact CD2-CB 4.24Å; L146-C200 HydrophobicContact CG-CB 4.39Å; L146-C200 PolarHBondContact O-N 2.81Å; F148-C200 HydrophobicContact CD1-CB 3.67Å; F148-C200 HydrophobicContact CE1-CB 3.98Å; C200-V294 WeakPolarHBondContact CA-O 3.44Å; C200-F295 HydrophobicContact CB-CD1 4.17Å; C200-F295 HydrophobicContact CB-CE1 3.99Å
201	L	98.8	Very high	98.1	Very high	17 Å²	17	14.7 Å²	14.7	9%	0.089	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.6	176.8	-51.8	81.8	0	0	0	108.9	V143 I144 Y222 V294	V143-L201 CarbonylContact O-C 3.53Å; V143-L201 VanDerWaalsContact O-CA 3.28Å; V143-L201 WeakPolarHBondContact O-CA 3.36Å; I144-L201 HydrophobicContact CB-CD2 3.79Å; I144-L201 HydrophobicContact CB-CG 4.35Å; I144-L201 HydrophobicContact CG2-CD2 4.02Å; L201-Y222 HydrophobicContact CD1-CE2 4.31Å; L201-Y222 HydrophobicContact CD2-CE2 3.73Å; L201-V294 HydrophobicContact CB-CB 4.15Å; L201-V294 HydrophobicContact CD1-CB 4.34Å; L201-V294 HydrophobicContact CD1-CG1 4.01Å; L201-V294 PolarHBondContact N-O 2.79Å; L201-V294 PolarHBondContact O-N 2.73Å
202	M	98.8	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	111.9	-176.2	-62.5	166.3	-70.7	0	0	106.4	V95 V98 M123 W126 Y130 N142 V143 L146 L293	V95-M202 HydrophobicContact CB-SD 4.31Å; V95-M202 HydrophobicContact CG1-SD 3.74Å; V95-M202 HydrophobicContact CG2-CB 4.34Å; V95-M202 HydrophobicContact CG2-CG 3.98Å; V95-M202 HydrophobicContact CG2-SD 3.96Å; V98-M202 HydrophobicContact CB-SD 4.29Å; V98-M202 HydrophobicContact CG1-CE 4.45Å; V98-M202 HydrophobicContact CG1-SD 4.04Å; V98-M202 HydrophobicContact CG2-SD 4.35Å; M123-M202 HydrophobicContact CE-CE 4.07Å; M123-M202 HydrophobicContact CE-SD 4.19Å; M123-M202 HydrophobicContact SD-CE 4.1Å; W126-M202 HydrophobicContact CZ2-CB 3.64Å; W126-M202 WeakPolarHBondContact CZ2-O 3.25Å; W126-M202 PolarHBondContact NE1-SD 3.5Å; W126-M202 VanDerWaalsContact NE1-SD 3.38Å; Y130-M202 HydrophobicContact CE2-CB 4.26Å; N142-M202 PolarHBondContact OD1-O 3.02Å; V143-M202 HydrophobicContact CB-CB 4.38Å; V143-M202 HydrophobicContact CB-CE 4Å; V143-M202 HydrophobicContact CG1-CE 3.59Å; V143-M202 HydrophobicContact CG2-CE 4.44Å; V143-M202 PolarHBondContact N-O 2.83Å; V143-M202 PolarHBondContact O-N 3.25Å; L146-M202 HydrophobicContact CB-CE 4.48Å; L146-M202 HydrophobicContact CD2-CE 3.55Å; M202-L293 HydrophobicContact CG-CD1 3.56Å
203	S	98.8	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.2	-173	-54.3	0	0	0	0	109.9	N142 K229 D291 T292	N142-S203 VanDerWaalsContact OD1-CB 3.27Å; N142-S203 WeakPolarHBondContact OD1-CB 3.37Å; N142-S203 PolarHBondContact OD1-OG 3.09Å; S203-K229 PolarHBondContact OG-NZ 2.9Å; S203-D291 WeakPolarHBondContact O-CA 3.48Å; S203-T292 PolarHBondContact N-O 3.03Å; S203-T292 PolarHBondContact O-N 3.34Å
204	V	98.6	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.			trans	-82.4	160.1	173.2	-64.7	0	0	0	0	111.6	Y129 Y130 L140 G206 C207 T288 D291	Y129-V204 HydrophobicContact CE1-CG1 4.04Å; Y129-V204 HydrophobicContact CE1-CG2 4.34Å; Y130-V204 HydrophobicContact CD2-CG1 3.73Å; Y130-V204 HydrophobicContact CE2-CG1 3.95Å; Y130-V204 HydrophobicContact CG-CG1 4.41Å; L140-V204 HydrophobicContact CD2-CG2 4.17Å; V204-G206 PolarHBondContact O-N 3.35Å; V204-C207 WeakPolarHBondContact CG2-SG 3.38Å; V204-C207 VanDerWaalsContact O-CB 3.27Å; V204-C207 WeakPolarHBondContact O-CB 3.37Å; V204-C207 PolarHBondContact O-N 2.98Å; V204-C207 VanDerWaalsContact O-N 3.1Å; V204-C207 PolarHBondContact O-SG 2.89Å; V204-T288 WeakPolarHBondContact O-CB 3.45Å; V204-T288 WeakPolarHBondContact O-CG2 3.38Å; V204-D291 VanDerWaalsContact CA-OD1 3.24Å; V204-D291 WeakPolarHBondContact CA-OD1 3.42Å; V204-D291 WeakPolarHBondContact CB-OD1 3.36Å
205	R	98.6	Very high	98.3	Very high	111 Å²	111	16.8 Å²	16.8	42%	0.419	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	135.6	170.4	-179.8	158.3	176.6	-92	-10.9	110.5	E134 C207 T288 P289 D291	E134-R205 IonicContact OE1-CZ 3.04Å; E134-R205 IonicContact OE1-NH1 2.84Å; E134-R205 PolarHBondContact OE1-NH1 3.15Å; E134-R205 WeakPolarHBondContact OE2-CD 3.42Å; E134-R205 IonicContact OE2-CZ 2.66Å; E134-R205 IonicContact OE2-NE 2.77Å; E134-R205 IonicContact OE2-NH1 2.78Å; E134-R205 PolarHBondContact OE2-NH1 3.49Å; R205-C207 VanDerWaalsContact C-N 3.34Å; R205-T288 WeakPolarHBondContact CA-O 3.26Å; R205-P289 VanDerWaalsContact CD-O 3.24Å; R205-P289 WeakPolarHBondContact CD-O 3.41Å; R205-P289 WeakPolarHBondContact CG-O 3.21Å; R205-P289 PolarHBondContact NE-O 2.99Å; R205-D291 PolarHBondContact N-OD1 3.21Å
206	G	96.8	Very high	98.3	Very high	20 Å²	20	16.8 Å²	16.8	21%	0.206	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-11.4	-176.5	0	0	0	0	0	114.9	V204 Y208 T288	V204-G206 PolarHBondContact O-N 3.35Å; G206-Y208 PolarHBondContact O-N 3.36Å; G206-T288 PolarHBondContact N-O 3.4Å
207	C	98.1	Very high	98.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.			trans	-62.5	126.3	176.4	-72.9	0	0	0	0	112.2	V113 Y141 N142 V204 R205 Y287 T288	V113-C207 HydrophobicContact CG2-CB 4.14Å; Y141-C207 PolarHBondContact O-SG 3.38Å; N142-C207 HydrophobicContact CB-CB 4.26Å; V204-C207 WeakPolarHBondContact CG2-SG 3.38Å; V204-C207 VanDerWaalsContact O-CB 3.27Å; V204-C207 WeakPolarHBondContact O-CB 3.37Å; V204-C207 PolarHBondContact O-N 2.98Å; V204-C207 VanDerWaalsContact O-N 3.1Å; V204-C207 PolarHBondContact O-SG 2.89Å; R205-C207 VanDerWaalsContact C-N 3.34Å; C207-Y287 CarbonylContact O-C 3.43Å; C207-Y287 WeakPolarHBondContact O-CA 3.29Å; C207-T288 WeakPolarHBondContact O-CB 3.49Å; C207-T288 PolarHBondContact O-N 3.02Å; C207-T288 PolarHBondContact O-OG1 2.89Å
208	Y	97.6	Very high	98.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.3	170	177.3	-97.8	0	0	0	110.3	F38 L40 G206 D210 W232 F257 A285 V286	F38-Y208 HydrophobicContact CZ-CE1 4.15Å; L40-Y208 HydrophobicContact CD1-CD2 3.56Å; L40-Y208 HydrophobicContact CD1-CE2 3.53Å; L40-Y208 HydrophobicContact CD1-CG 4.3Å; L40-Y208 HydrophobicContact CD2-CD2 3.81Å; L40-Y208 HydrophobicContact CD2-CG 3.93Å; L40-Y208 HydrophobicContact CG-CD2 4.37Å; G206-Y208 PolarHBondContact O-N 3.36Å; Y208-D210 HydrophobicContact CD1-CB 4.35Å; Y208-D210 HydrophobicContact CE1-CB 3.59Å; Y208-D210 WeakPolarHBondContact CE1-OD1 3.38Å; Y208-D210 PolarHBondContact OH-OD1 3.24Å; Y208-W232 HydrophobicContact CD2-CZ3 4.23Å; Y208-W232 HydrophobicContact CE2-CE3 4.44Å; Y208-W232 HydrophobicContact CE2-CH2 4.43Å; Y208-W232 AromaticContact CE2-CZ3 3.91Å; Y208-W232 HydrophobicContact CE2-CZ3 3.91Å; Y208-F257 HydrophobicContact CE2-CE2 4.3Å; Y208-F257 WeakPolarHBondContact OH-CE2 3.37Å; Y208-A285 HydrophobicContact CE2-CB 4.06Å; Y208-V286 CarbonylContact C-O 3.57Å; Y208-V286 VanDerWaalsContact CA-O 3.32Å; Y208-V286 WeakPolarHBondContact CA-O 3.5Å
209	T	97.1	Very high	98.3	Very high	12 Å²	12	15.7 Å²	15.7	7%	0.074	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.1	167.8	-62.3	0	0	0	0	106.9	N142 I144 A285 V286	N142-T209 PolarHBondContact ND2-OG1 2.95Å; I144-T209 HydrophobicContact CD1-CG2 4.23Å; T209-A285 WeakPolarHBondContact O-CA 3.36Å; T209-V286 PolarHBondContact N-O 3.12Å; T209-V286 PolarHBondContact O-N 3.43Å
210	D	97.1	Very high	98.3	Very high	13 Å²	13	15.1 Å²	15.1	7%	0.07	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	174.4	-173	-152.1	3.2	0	0	0	113.4	Y208 H212	Y208-D210 HydrophobicContact CD1-CB 4.35Å; Y208-D210 HydrophobicContact CE1-CB 3.59Å; Y208-D210 WeakPolarHBondContact CE1-OD1 3.38Å; Y208-D210 PolarHBondContact OH-OD1 3.24Å; D210-H212 PolarHBondContact O-N 2.96Å; D210-H212 PolarHBondContact O-ND1 2.77Å
211	F	98.3	Very high	98.3	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.018	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	121.9	-176.2	-72.8	-82.3	0	0	0	112.6	W232 I234 W247 F257 L258 G259 I283 H284 A285	F211-W232 HydrophobicContact CE1-CB 3.83Å; F211-W232 HydrophobicContact CZ-CB 3.87Å; F211-W232 HydrophobicContact CZ-CG 4.38Å; F211-I234 HydrophobicContact CD1-CD1 3.86Å; F211-I234 HydrophobicContact CE1-CD1 3.6Å; F211-I234 HydrophobicContact CE1-CG1 4.17Å; F211-I234 HydrophobicContact CZ-CD1 4.33Å; F211-W247 HydrophobicContact CB-CH2 4.03Å; F211-W247 HydrophobicContact CB-CZ3 4.32Å; F211-W247 VanDerWaalsContact O-CH2 3.3Å; F211-W247 WeakPolarHBondContact O-CH2 3.49Å; F211-W247 WeakPolarHBondContact O-CZ3 3.36Å; F211-F257 HydrophobicContact CE2-CD1 4.08Å; F211-F257 AromaticContact CE2-CD2 3.71Å; F211-F257 HydrophobicContact CE2-CD2 3.71Å; F211-F257 AromaticContact CE2-CE1 3.88Å; F211-F257 HydrophobicContact CE2-CE1 3.88Å; F211-F257 AromaticContact CE2-CE2 3.52Å; F211-F257 HydrophobicContact CE2-CE2 3.52Å; F211-F257 HydrophobicContact CE2-CG 4Å; F211-F257 AromaticContact CE2-CZ 3.6Å; F211-F257 HydrophobicContact CE2-CZ 3.6Å; F211-F257 HydrophobicContact CZ-CD1 4.34Å; F211-F257 AromaticContact CZ-CE1 3.76Å; F211-F257 HydrophobicContact CZ-CE1 3.76Å; F211-F257 AromaticContact CZ-CE2 3.98Å; F211-F257 HydrophobicContact CZ-CE2 3.98Å; F211-F257 AromaticContact CZ-CZ 3.57Å; F211-F257 HydrophobicContact CZ-CZ 3.57Å; F211-L258 HydrophobicContact CB-CB 4.06Å; F211-L258 HydrophobicContact CB-CD2 3.93Å; F211-L258 HydrophobicContact CD1-CB 4.27Å; F211-L258 HydrophobicContact CD2-CB 3.54Å; F211-L258 HydrophobicContact CE2-CB 4Å; F211-L258 HydrophobicContact CG-CB 3.69Å; F211-L258 HydrophobicContact CG-CD2 4.22Å; F211-G259 VanDerWaalsContact CZ-N 3.34Å; F211-I283 HydrophobicContact CB-CG2 4.19Å; F211-I283 HydrophobicContact CD1-CG2 4.2Å; F211-H284 VanDerWaalsContact CA-O 3.32Å; F211-H284 WeakPolarHBondContact CA-O 3.22Å; F211-A285 HydrophobicContact CB-CB 4.5Å; F211-A285 HydrophobicContact CD1-CB 3.7Å; F211-A285 HydrophobicContact CD2-CB 3.84Å; F211-A285 HydrophobicContact CE1-CB 3.73Å; F211-A285 HydrophobicContact CE2-CB 3.89Å; F211-A285 HydrophobicContact CG-CB 3.76Å; F211-A285 HydrophobicContact CZ-CB 3.83Å
212	H	98.5	Very high	98.3	Very high	48 Å²	48	15.1 Å²	15.1	22%	0.222	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	169.7	177.5	60.9	-68	0	0	0	111	D210 I283 H284	D210-H212 PolarHBondContact O-N 2.96Å; D210-H212 PolarHBondContact O-ND1 2.77Å; H212-I283 CarbonylContact O-C 3.53Å; H212-I283 WeakPolarHBondContact O-CA 3.34Å; H212-H284 AromaticContact CE1-CD2 3.99Å; H212-H284 AromaticContact CE1-NE2 3.62Å; H212-H284 PolarHBondContact N-O 2.85Å; H212-H284 PolarHBondContact ND1-O 2.92Å; H212-H284 VanDerWaalsContact ND1-O 3.15Å; H212-H284 AromaticContact NE2-CE1 3.76Å; H212-H284 AromaticContact NE2-NE2 3.51Å; H212-H284 PolarHBondContact O-N 3.05Å
213	V	98.8	Very high	98.3	Very high	16 Å²	16	15.7 Å²	15.7	10%	0.097	8%	0.077	C	C	.	.			trans	-121.7	137.7	164.5	-178.8	0	0	0	0	106.4	Y244 I283 I311	V213-Y244 HydrophobicContact CB-CE1 4.2Å; V213-Y244 HydrophobicContact CG2-CD1 4.15Å; V213-Y244 HydrophobicContact CG2-CE1 3.67Å; V213-Y244 HydrophobicContact CG2-CE2 4.48Å; V213-Y244 PolarHBondContact N-OH 2.94Å; V213-Y244 VanDerWaalsContact N-OH 3.07Å; V213-I283 HydrophobicContact CG2-CB 4.04Å; V213-I283 HydrophobicContact CG2-CG1 3.43Å; V213-I283 VanDerWaalsContact CG2-CG1 3.43Å; V213-I283 HydrophobicContact CG2-CG2 4.48Å; V213-I311 HydrophobicContact CB-CG2 4.4Å; V213-I311 HydrophobicContact CG1-CD1 3.92Å; V213-I311 HydrophobicContact CG1-CG1 3.92Å; V213-I311 HydrophobicContact CG1-CG2 3.76Å
214	D	98.7	Very high	98.3	Very high	26 Å²	26	15.7 Å²	15.7	14%	0.139	8%	0.077	C	C	.	.			trans	-65.2	152.3	-179.3	-65.9	-64.2	0	0	0	113.3	G217 T218 V220 H284	D214-G217 WeakPolarHBondContact O-CA 3.12Å; D214-G217 PolarHBondContact O-N 3.35Å; D214-T218 VanDerWaalsContact CB-OG1 3.28Å; D214-T218 WeakPolarHBondContact CB-OG1 3.29Å; D214-V220 HydrophobicContact CB-CG2 4.22Å; D214-V220 WeakPolarHBondContact OD2-CG2 3.2Å; D214-H284 IonicContact OD2-CE1 2.7Å; D214-H284 PolarHBondContact OD2-CE1 3.41Å; D214-H284 VanDerWaalsContact OD2-CE1 3.26Å
215	F	98.1	Very high	98.3	Very high	38 Å²	38	16.3 Å²	16.3	17%	0.167	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-63.8	138.3	-166.8	54.6	-95.9	0	0	0	113.2	V196 Y199 G217 T218 N298 E315 F324 Y326	V196-F215 HydrophobicContact CB-CE2 4.03Å; V196-F215 HydrophobicContact CB-CZ 3.93Å; V196-F215 HydrophobicContact CG1-CE2 3.78Å; V196-F215 HydrophobicContact CG1-CZ 3.91Å; V196-F215 HydrophobicContact CG2-CE2 4.33Å; Y199-F215 HydrophobicContact CE2-CZ 4.34Å; F215-G217 PolarHBondContact O-N 3.24Å; F215-G217 VanDerWaalsContact O-N 3.14Å; F215-T218 HydrophobicContact CD2-CG2 4.48Å; F215-T218 HydrophobicContact CE2-CG2 4.26Å; F215-T218 WeakPolarHBondContact O-CG2 3.28Å; F215-T218 PolarHBondContact O-N 2.95Å; F215-T218 PolarHBondContact O-OG1 3.21Å; F215-T218 VanDerWaalsContact O-OG1 3.09Å; F215-N298 HydrophobicContact CE2-CB 4.29Å; F215-N298 HydrophobicContact CZ-CB 3.8Å; F215-E315 VanDerWaalsContact CA-OE1 3.28Å; F215-E315 WeakPolarHBondContact CA-OE1 3.41Å; F215-F324 WeakPolarHBondContact CB-O 3.28Å; F215-Y326 AromaticContact CD2-CD2 3.81Å; F215-Y326 HydrophobicContact CD2-CD2 3.81Å; F215-Y326 HydrophobicContact CD2-CG 4.29Å; F215-Y326 AromaticContact CE2-CD2 3.75Å; F215-Y326 HydrophobicContact CE2-CD2 3.75Å; F215-Y326 HydrophobicContact CE2-CE2 4.46Å
216	G	98.3	Very high	98.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	64.7	6.8	-172.2	0	0	0	0	0	114.3	E315 Y329	G216-E315 PolarHBondContact N-OE1 3.09Å; G216-Y329 WeakPolarHBondContact O-CE2 2.93Å; G216-Y329 PolarHBondContact O-OH 3.36Å
217	G	98.7	Very high	98.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	67.9	36.9	-170.8	0	0	0	0	0	112.7	D214 F215 S280	D214-G217 WeakPolarHBondContact O-CA 3.12Å; D214-G217 PolarHBondContact O-N 3.35Å; F215-G217 PolarHBondContact O-N 3.24Å; F215-G217 VanDerWaalsContact O-N 3.14Å; G217-S280 WeakPolarHBondContact O-CA 3.35Å; G217-S280 WeakPolarHBondContact O-CB 3.5Å; G217-S280 PolarHBondContact O-OG 2.67Å
218	T	98.9	Very high	98.5	Very high	2 Å²	2	14 Å²	14	1%	0.012	8%	0.075	C	C	.	.			trans	-56.3	151.6	173.7	39.1	0	0	0	0	112.5	D214 F215 N298 L300 Y326	D214-T218 VanDerWaalsContact CB-OG1 3.28Å; D214-T218 WeakPolarHBondContact CB-OG1 3.29Å; F215-T218 HydrophobicContact CD2-CG2 4.48Å; F215-T218 HydrophobicContact CE2-CG2 4.26Å; F215-T218 WeakPolarHBondContact O-CG2 3.28Å; F215-T218 PolarHBondContact O-N 2.95Å; F215-T218 PolarHBondContact O-OG1 3.21Å; F215-T218 VanDerWaalsContact O-OG1 3.09Å; T218-N298 WeakPolarHBondContact CB-OD1 3.24Å; T218-N298 HydrophobicContact CG2-CB 4Å; T218-N298 PolarHBondContact OG1-OD1 3.35Å; T218-L300 HydrophobicContact CG2-CD2 3.75Å; T218-L300 HydrophobicContact CG2-CG 3.92Å; T218-Y326 HydrophobicContact CG2-CD2 3.75Å; T218-Y326 HydrophobicContact CG2-CE2 3.83Å
219	S	98.9	Very high	98.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	150.3	158	-67.3	0	0	0	0	108.4	I278 S280 F299 H301	S219-I278 CarbonylContact C-O 3.53Å; S219-I278 VanDerWaalsContact CA-O 3.25Å; S219-I278 WeakPolarHBondContact CA-O 3.4Å; S219-I278 WeakPolarHBondContact CB-O 3.48Å; S219-S280 PolarHBondContact OG-N 3.4Å; S219-F299 VanDerWaalsContact CB-CZ 3.5Å; S219-F299 PolarHBondContact N-O 3.08Å; S219-F299 VanDerWaalsContact O-CD1 3.25Å; S219-F299 WeakPolarHBondContact O-CD1 3.37Å; S219-F299 PolarHBondContact O-N 3.05Å; S219-H301 PolarHBondContact OG-CD2 3.44Å; S219-H301 PolarHBondContact OG-NE2 3.22Å
220	V	98.8	Very high	98.6	Very high	10 Å²	10	14.3 Å²	14.3	6%	0.061	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.3	-176.7	177.4	0	0	0	0	110.7	D214 Y222 V277 I278 G297 N298	D214-V220 HydrophobicContact CB-CG2 4.22Å; D214-V220 WeakPolarHBondContact OD2-CG2 3.2Å; V220-Y222 HydrophobicContact CG1-CD2 4.36Å; V220-V277 CarbonylContact O-C 3.42Å; V220-V277 VanDerWaalsContact O-CA 3.26Å; V220-V277 WeakPolarHBondContact O-CA 2.96Å; V220-I278 HydrophobicContact CB-CB 4.25Å; V220-I278 PolarHBondContact N-O 3.16Å; V220-I278 PolarHBondContact O-N 3.31Å; V220-G297 WeakPolarHBondContact CA-O 3.28Å; V220-N298 VanDerWaalsContact CG2-OD1 3.29Å; V220-N298 WeakPolarHBondContact CG2-OD1 3.47Å
221	W	98.9	Very high	98.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.8	161.9	73.7	-83.7	0	0	0	109.3	M88 V157 R159 H223 F276 V277 F295 G296 G297 F299	M88-W221 HydrophobicContact CE-CH2 4.01Å; M88-W221 HydrophobicContact CE-CZ3 3.71Å; V157-W221 HydrophobicContact CG1-CH2 4Å; R159-W221 HydrophobicContact CB-CD2 3.8Å; R159-W221 HydrophobicContact CB-CE3 4.32Å; R159-W221 HydrophobicContact CB-CG 4.38Å; R159-W221 HydrophobicContact CB-CH2 3.99Å; R159-W221 HydrophobicContact CB-CZ2 3.41Å; R159-W221 VanDerWaalsContact CB-CZ2 3.41Å; R159-W221 HydrophobicContact CB-CZ3 4.4Å; W221-H223 HydrophobicContact CZ3-CB 4.18Å; W221-F276 CarbonylContact C-O 3.57Å; W221-F276 WeakPolarHBondContact CA-O 3.5Å; W221-V277 HydrophobicContact CB-CG2 4.44Å; W221-F295 HydrophobicContact CH2-CB 4.49Å; W221-G296 VanDerWaalsContact CE2-C 3.41Å; W221-G296 WeakPolarHBondContact CZ2-O 3.45Å; W221-G296 CarbonylContact O-C 3.6Å; W221-G296 WeakPolarHBondContact O-CA 3.43Å; W221-G297 VanDerWaalsContact CD1-O 3.26Å; W221-G297 PolarHBondContact N-O 3.49Å; W221-G297 VanDerWaalsContact NE1-CA 3.28Å; W221-G297 PolarHBondContact O-N 2.83Å; W221-F299 HydrophobicContact CB-CE1 4.42Å
222	Y	98.6	Very high	98.7	Very high	18 Å²	18	13.6 Å²	13.6	7%	0.071	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	117.9	-165.8	-158.5	-85.5	0	0	0	110.1	L201 V220 I224 K229 F231 L270 T275 F276 V294	L201-Y222 HydrophobicContact CD1-CE2 4.31Å; L201-Y222 HydrophobicContact CD2-CE2 3.73Å; V220-Y222 HydrophobicContact CG1-CD2 4.36Å; Y222-I224 HydrophobicContact CD1-CD1 3.75Å; Y222-I224 HydrophobicContact CE1-CD1 3.55Å; Y222-K229 HydrophobicContact CE1-CG 4.12Å; Y222-F231 HydrophobicContact CD1-CZ 4.35Å; Y222-F231 HydrophobicContact CE1-CE2 4.21Å; Y222-F231 HydrophobicContact CE1-CZ 4.07Å; Y222-F231 HydrophobicContact CE2-CZ 4.29Å; Y222-L270 HydrophobicContact CD1-CD1 4.32Å; Y222-T275 CarbonylContact O-C 3.49Å; Y222-T275 WeakPolarHBondContact O-CA 3.3Å; Y222-F276 PolarHBondContact N-O 3.24Å; Y222-F276 PolarHBondContact O-N 3.19Å; Y222-V294 HydrophobicContact CD1-CG1 3.52Å; Y222-V294 HydrophobicContact CD1-CG2 4.44Å; Y222-V294 HydrophobicContact CD2-CG1 4.07Å; Y222-V294 HydrophobicContact CE1-CB 4.1Å; Y222-V294 HydrophobicContact CE1-CG1 3.36Å; Y222-V294 HydrophobicContact CE1-CG2 3.63Å; Y222-V294 HydrophobicContact CE2-CG1 3.94Å; Y222-V294 HydrophobicContact CG-CG1 3.88Å
223	H	98.9	Very high	98.7	Very high	12 Å²	12	11.3 Å²	11.3	6%	0.056	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.4	-177.2	-174.9	80.9	0	0	0	111.5	I86 M88 W221 H225 G273 T275 V294 F295	I86-H223 WeakPolarHBondContact CD1-ND1 3.49Å; M88-H223 HydrophobicContact CE-CB 3.78Å; W221-H223 HydrophobicContact CZ3-CB 4.18Å; H223-H225 PolarHBondContact O-N 2.92Å; H223-H225 VanDerWaalsContact O-N 3.13Å; H223-G273 PolarHBondContact CE1-O 3.38Å; H223-G273 VanDerWaalsContact CE1-O 3.32Å; H223-T275 PolarHBondContact ND1-OG1 2.87Å; H223-V294 WeakPolarHBondContact O-CA 3.46Å; H223-V294 WeakPolarHBondContact O-CG1 3.35Å; H223-F295 WeakPolarHBondContact CA-O 3.31Å; H223-F295 WeakPolarHBondContact CB-O 3.32Å; H223-F295 PolarHBondContact N-O 2.96Å; H223-F295 PolarHBondContact O-N 2.77Å; H223-F295 VanDerWaalsContact O-N 3.13Å
224	I	98.9	Very high	98.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	97.6	178.4	-47.2	-56.8	0	0	0	109	Y222 K229 L270 K271 G273 Y274 V294	Y222-I224 HydrophobicContact CD1-CD1 3.75Å; Y222-I224 HydrophobicContact CE1-CD1 3.55Å; I224-K229 HydrophobicContact CD1-CB 4.26Å; I224-K229 HydrophobicContact CD1-CG 3.85Å; I224-L270 HydrophobicContact CD1-CB 4.09Å; I224-L270 HydrophobicContact CD1-CD1 4.17Å; I224-L270 HydrophobicContact CG1-CB 3.83Å; I224-L270 HydrophobicContact CG1-CD1 4.49Å; I224-K271 WeakPolarHBondContact CB-O 3.44Å; I224-G273 PolarHBondContact O-N 2.92Å; I224-Y274 PolarHBondContact N-O 3.05Å; I224-V294 HydrophobicContact CD1-CG2 3.9Å
225	H	98.8	Very high	98.8	Very high	12 Å²	12	10.3 Å²	10.3	6%	0.056	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-44.6	179.6	-178.7	-95.5	0	0	0	111.4	P89 D90 P91 H223 Q272 L293 F295	P89-H225 PolarHBondContact O-NE2 2.82Å; P89-H225 VanDerWaalsContact O-NE2 3.12Å; D90-H225 PolarHBondContact O-CE1 3.41Å; D90-H225 PolarHBondContact O-NE2 3.44Å; P91-H225 PolarHBondContact O-CE1 3.32Å; H223-H225 PolarHBondContact O-N 2.92Å; H223-H225 VanDerWaalsContact O-N 3.13Å; H225-Q272 WeakPolarHBondContact O-CG 3.44Å; H225-Q272 PolarHBondContact O-NE2 2.65Å; H225-L293 WeakPolarHBondContact CB-O 3.34Å; H225-L293 PolarHBondContact N-O 3.06Å; H225-F295 HydrophobicContact CB-CD2 3.99Å; H225-F295 HydrophobicContact CB-CE2 4.1Å; H225-F295 AromaticContact CG-CE2 3.96Å
226	Q	98.6	Very high	98.8	Very high	54 Å²	54	9.6 Å²	9.6	25%	0.252	6%	0.058	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145	172.9	-78.6	160	69.6	0	0	110.7	P91 F93 T292 L293	P91-Q226 PolarHBondContact O-NE2 3.16Å; F93-Q226 PolarHBondContact O-NE2 3.21Å; Q226-T292 WeakPolarHBondContact O-CA 3.44Å; Q226-T292 WeakPolarHBondContact O-CG2 3.28Å; Q226-L293 HydrophobicContact CB-CB 4.34Å; Q226-L293 PolarHBondContact N-O 2.9Å; Q226-L293 VanDerWaalsContact N-O 3.16Å; Q226-L293 PolarHBondContact O-N 3.19Å; Q226-L293 VanDerWaalsContact O-N 3.1Å
227	G	98.6	Very high	98.8	Very high	22 Å²	22	12.6 Å²	12.6	23%	0.227	8%	0.076	C	C	.	.	S	Bend	trans	85.9	-133.6	174.6	0	0	0	0	0	113.9	Q272	G227-Q272 PolarHBondContact O-N 2.9Å; G227-Q272 VanDerWaalsContact O-N 3.12Å
228	G	98.6	Very high	98.8	Very high	6 Å²	6	16.2 Å²	16.2	6%	0.062	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	163.8	-174.5	0	0	0	0	0	114	L270 P289 T292	G228-L270 CarbonylContact C-O 3.51Å; G228-L270 VanDerWaalsContact CA-O 3.25Å; G228-L270 WeakPolarHBondContact CA-O 3.49Å; G228-P289 WeakPolarHBondContact O-CD 3.34Å; G228-T292 PolarHBondContact N-OG1 3.45Å; G228-T292 PolarHBondContact O-OG1 3.27Å
229	K	98.8	Very high	98.8	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.013	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.9	-179.9	-68.9	-66.3	-170.5	159.8	0	111.1	S203 Y222 I224 F231 L270 V286 T288 T292	S203-K229 PolarHBondContact OG-NZ 2.9Å; Y222-K229 HydrophobicContact CE1-CG 4.12Å; I224-K229 HydrophobicContact CD1-CB 4.26Å; I224-K229 HydrophobicContact CD1-CG 3.85Å; K229-F231 HydrophobicContact CB-CD2 4.05Å; K229-F231 HydrophobicContact CB-CE2 3.69Å; K229-F231 HydrophobicContact CG-CE2 4.32Å; K229-L270 HydrophobicContact CB-CB 4.4Å; K229-L270 PolarHBondContact N-O 3.2Å; K229-L270 PolarHBondContact O-N 3.16Å; K229-V286 HydrophobicContact CB-CG1 4.33Å; K229-V286 HydrophobicContact CD-CG1 3.93Å; K229-V286 HydrophobicContact CG-CG1 4.42Å; K229-T288 HydrophobicContact CD-CG2 4.4Å; K229-T288 PolarHBondContact NZ-OG1 3.13Å; K229-T292 HydrophobicContact CD-CG2 4.16Å; K229-T292 HydrophobicContact CG-CG2 4.16Å
230	V	98.9	Very high	98.8	Very high	17 Å²	17	21.3 Å²	21.3	10%	0.103	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124	169.3	179.8	0	0	0	0	108.2	L44 W232 R267 I268 V286 Y287 P289	L44-V230 HydrophobicContact CD2-CB 4.3Å; L44-V230 HydrophobicContact CD2-CG1 4.04Å; L44-V230 HydrophobicContact CD2-CG2 4.44Å; V230-W232 HydrophobicContact CG1-CH2 4.36Å; V230-W232 HydrophobicContact CG1-CZ3 4.45Å; V230-R267 HydrophobicContact CG1-CG 3.53Å; V230-I268 CarbonylContact C-O 3.58Å; V230-I268 WeakPolarHBondContact CA-O 3.13Å; V230-V286 CarbonylContact O-C 3.54Å; V230-V286 WeakPolarHBondContact O-CA 3.29Å; V230-Y287 HydrophobicContact CB-CD1 4.45Å; V230-Y287 HydrophobicContact CG2-CD1 4.45Å; V230-Y287 PolarHBondContact N-O 3.14Å; V230-Y287 PolarHBondContact O-N 3.06Å; V230-P289 HydrophobicContact CG2-CG 4.35Å
231	F	98.9	Very high	98.8	Very high	1 Å²	1	21 Å²	21	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.8	178	-80.8	-108	0	0	0	110.1	Y222 K229 L233 R267 I268 L270 F276 I278 H284 A285 V286	Y222-F231 HydrophobicContact CD1-CZ 4.35Å; Y222-F231 HydrophobicContact CE1-CE2 4.21Å; Y222-F231 HydrophobicContact CE1-CZ 4.07Å; Y222-F231 HydrophobicContact CE2-CZ 4.29Å; K229-F231 HydrophobicContact CB-CD2 4.05Å; K229-F231 HydrophobicContact CB-CE2 3.69Å; K229-F231 HydrophobicContact CG-CE2 4.32Å; F231-L233 HydrophobicContact CB-CD2 4.15Å; F231-L233 HydrophobicContact CB-CG 4.43Å; F231-L233 HydrophobicContact CD1-CD2 4.27Å; F231-R267 CarbonylContact O-C 3.56Å; F231-R267 VanDerWaalsContact O-CA 3.26Å; F231-R267 WeakPolarHBondContact O-CA 3.32Å; F231-I268 HydrophobicContact CB-CG2 3.99Å; F231-I268 PolarHBondContact N-O 3.43Å; F231-I268 PolarHBondContact O-N 3.36Å; F231-L270 HydrophobicContact CD2-CD1 3.72Å; F231-L270 HydrophobicContact CD2-CG 4Å; F231-L270 HydrophobicContact CE2-CD1 3.42Å; F231-L270 VanDerWaalsContact CE2-CD1 3.42Å; F231-L270 HydrophobicContact CE2-CG 4.17Å; F231-L270 HydrophobicContact CZ-CD1 4.24Å; F231-F276 HydrophobicContact CD1-CD1 4.47Å; F231-F276 AromaticContact CD1-CE1 3.83Å; F231-F276 HydrophobicContact CD1-CE1 3.83Å; F231-F276 HydrophobicContact CE1-CD1 4.29Å; F231-F276 HydrophobicContact CE1-CE1 4.01Å; F231-F276 HydrophobicContact CE2-CD1 4.5Å; F231-F276 HydrophobicContact CG-CE1 4.12Å; F231-F276 HydrophobicContact CZ-CD1 4.3Å; F231-F276 HydrophobicContact CZ-CE1 4.45Å; F231-I278 HydrophobicContact CD1-CD1 4.32Å; F231-I278 HydrophobicContact CE1-CD1 3.77Å; F231-H284 AromaticContact CD1-CD2 3.86Å; F231-H284 AromaticContact CE1-CD2 3.74Å; F231-A285 WeakPolarHBondContact CA-O 3.41Å; F231-V286 HydrophobicContact CD1-CG2 3.72Å; F231-V286 HydrophobicContact CD2-CG1 4.17Å; F231-V286 HydrophobicContact CE1-CG1 4.36Å; F231-V286 HydrophobicContact CE1-CG2 3.43Å; F231-V286 VanDerWaalsContact CE1-CG2 3.43Å; F231-V286 HydrophobicContact CE2-CG1 3.81Å; F231-V286 HydrophobicContact CE2-CG2 4.38Å; F231-V286 HydrophobicContact CG-CG2 4.33Å; F231-V286 HydrophobicContact CZ-CG1 3.92Å; F231-V286 HydrophobicContact CZ-CG2 3.8Å
232	W	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.7	158.7	-66.2	-100.7	0	0	0	108.3	L40 K43 L44 Y49 Y208 F211 V230 F257 Q266 R267 H284 A285	L40-W232 HydrophobicContact CD1-CH2 4.01Å; K43-W232 HydrophobicContact CB-CZ2 3.97Å; K43-W232 WeakPolarHBondContact O-CZ2 3.13Å; K43-W232 PolarHBondContact O-NE1 2.87Å; L44-W232 HydrophobicContact CD2-CH2 3.53Å; L44-W232 HydrophobicContact CD2-CZ2 3.8Å; L44-W232 HydrophobicContact CG-CH2 4.03Å; L44-W232 HydrophobicContact CG-CZ2 4.13Å; Y49-W232 AromaticContact CD2-CD1 3.63Å; Y49-W232 AromaticContact CD2-NE1 3.39Å; Y49-W232 AromaticContact CE2-CD1 3.89Å; Y49-W232 AromaticContact CE2-NE1 3.43Å; Y49-W232 AromaticContact CG-CD1 3.94Å; Y208-W232 HydrophobicContact CD2-CZ3 4.23Å; Y208-W232 HydrophobicContact CE2-CE3 4.44Å; Y208-W232 HydrophobicContact CE2-CH2 4.43Å; Y208-W232 AromaticContact CE2-CZ3 3.91Å; Y208-W232 HydrophobicContact CE2-CZ3 3.91Å; F211-W232 HydrophobicContact CE1-CB 3.83Å; F211-W232 HydrophobicContact CZ-CB 3.87Å; F211-W232 HydrophobicContact CZ-CG 4.38Å; V230-W232 HydrophobicContact CG1-CH2 4.36Å; V230-W232 HydrophobicContact CG1-CZ3 4.45Å; W232-F257 AromaticContact CD1-CZ 3.73Å; W232-F257 AromaticContact CD2-CZ 3.84Å; W232-F257 HydrophobicContact CD2-CZ 3.84Å; W232-F257 AromaticContact CE2-CZ 3.7Å; W232-F257 HydrophobicContact CG-CE1 4.48Å; W232-F257 AromaticContact CG-CZ 3.86Å; W232-F257 HydrophobicContact CG-CZ 3.86Å; W232-F257 HydrophobicContact CZ2-CZ 4.29Å; W232-F257 AromaticContact NE1-CZ 3.61Å; W232-Q266 CarbonylContact C-O 3.04Å; W232-Q266 WeakPolarHBondContact CA-O 3.28Å; W232-R267 HydrophobicContact CD2-CG 4.22Å; W232-R267 HydrophobicContact CG-CB 4.44Å; W232-R267 HydrophobicContact CG-CG 4.28Å; W232-R267 HydrophobicContact CZ2-CG 4.4Å; W232-H284 WeakPolarHBondContact O-CA 3.36Å; W232-H284 VanDerWaalsContact O-CB 3.26Å; W232-H284 WeakPolarHBondContact O-CB 3.4Å; W232-A285 HydrophobicContact CE3-CB 4.17Å; W232-A285 PolarHBondContact N-O 2.95Å; W232-A285 PolarHBondContact O-N 3.48Å; W232-A285 VanDerWaalsContact O-N 3.15Å
233	L	98.9	Very high	98.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.8	-173.5	-55.9	174.8	0	0	0	110.3	F53 V54 P75 F231 C265 Q266 I268 F276 W282 H284	F53-L233 HydrophobicContact CD2-CB 4.5Å; V54-L233 HydrophobicContact CG2-CD1 3.38Å; P75-L233 HydrophobicContact CB-CD1 4.42Å; F231-L233 HydrophobicContact CB-CD2 4.15Å; F231-L233 HydrophobicContact CB-CG 4.43Å; F231-L233 HydrophobicContact CD1-CD2 4.27Å; L233-C265 WeakPolarHBondContact O-CA 3.35Å; L233-Q266 HydrophobicContact CB-CB 4.44Å; L233-Q266 PolarHBondContact N-O 3.49Å; L233-Q266 PolarHBondContact O-N 2.9Å; L233-I268 HydrophobicContact CD1-CG2 3.98Å; L233-I268 HydrophobicContact CG-CG2 4.48Å; L233-F276 HydrophobicContact CD1-CE2 4.47Å; L233-F276 HydrophobicContact CD1-CZ 3.82Å; L233-F276 HydrophobicContact CD2-CE1 4.24Å; L233-F276 HydrophobicContact CD2-CZ 3.91Å; L233-F276 HydrophobicContact CG-CZ 4.5Å; L233-W282 HydrophobicContact CB-CE3 4.16Å; L233-W282 HydrophobicContact CB-CZ3 4.18Å; L233-H284 HydrophobicContact CD2-CB 3.96Å
234	I	98.9	Very high	98.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.5	177.6	-61.1	176.3	0	0	0	108	F211 N240 L258 V262 C265 I283	F211-I234 HydrophobicContact CD1-CD1 3.86Å; F211-I234 HydrophobicContact CE1-CD1 3.6Å; F211-I234 HydrophobicContact CE1-CG1 4.17Å; F211-I234 HydrophobicContact CZ-CD1 4.33Å; I234-N240 HydrophobicContact CG2-CB 3.91Å; I234-N240 WeakPolarHBondContact CG2-ND2 3.45Å; I234-L258 HydrophobicContact CD1-CB 4.47Å; I234-L258 HydrophobicContact CD1-CD2 4.38Å; I234-L258 HydrophobicContact CD1-CG 4.14Å; I234-V262 HydrophobicContact CD1-CG1 4.25Å; I234-V262 HydrophobicContact CD1-CG2 3.94Å; I234-V262 HydrophobicContact CG1-CG2 4Å; I234-V262 HydrophobicContact CG2-CB 4.37Å; I234-V262 HydrophobicContact CG2-CG1 3.84Å; I234-V262 HydrophobicContact CG2-CG2 4.17Å; I234-C265 HydrophobicContact CG1-CB 4.27Å; I234-I283 HydrophobicContact CB-CB 4.09Å; I234-I283 WeakPolarHBondContact CB-O 3.49Å; I234-I283 HydrophobicContact CG2-CB 4.4Å; I234-I283 HydrophobicContact CG2-CD1 4.06Å; I234-I283 PolarHBondContact N-O 2.99Å; I234-I283 PolarHBondContact O-N 2.93Å; I234-I283 VanDerWaalsContact O-N 3.13Å
235	P	98.9	Very high	98.7	Very high	21 Å²	21	29.3 Å²	29.3	14%	0.136	17%	0.167	C	C	.	.			trans	-68.6	146.5	-176.2	24.6	-31.9	0	0	0	111.6	F53 T237 N240 W282	F53-P235 HydrophobicContact CE1-CG 3.96Å; F53-P235 HydrophobicContact CE2-CG 4.25Å; F53-P235 HydrophobicContact CZ-CG 3.7Å; P235-T237 HydrophobicContact CB-CG2 4.2Å; P235-T237 HydrophobicContact CG-CG2 4.1Å; P235-T237 PolarHBondContact O-N 3.01Å; P235-N240 WeakPolarHBondContact O-CB 3.44Å; P235-N240 PolarHBondContact O-ND2 3Å; P235-W282 HydrophobicContact CB-CE3 4.48Å; P235-W282 HydrophobicContact CB-CH2 3.59Å; P235-W282 HydrophobicContact CB-CZ2 4.04Å; P235-W282 HydrophobicContact CB-CZ3 3.86Å
236	P	98.8	Very high	98.7	Very high	24 Å²	24	33.1 Å²	33.1	16%	0.156	19%	0.188	C	C	.	.			trans	-75.9	46.9	-178.1	31.9	-36.8	0	0	0	113.8	L241 G281 W282 M307	P236-L241 HydrophobicContact CB-CD1 4Å; P236-L241 HydrophobicContact CB-CG 4.35Å; P236-L241 WeakPolarHBondContact O-CD1 3.33Å; P236-G281 WeakPolarHBondContact CB-O 3.41Å; P236-W282 HydrophobicContact CG-CG 4.45Å; P236-M307 HydrophobicContact CB-CE 3.75Å; P236-M307 HydrophobicContact CB-SD 3.99Å; P236-M307 HydrophobicContact CG-CE 4.04Å
237	T	98.8	Very high	98.6	Very high	63 Å²	63	31.2 Å²	31.2	39%	0.387	18%	0.179	S	C	.	.			trans	-63	157.2	173.5	75.5	0	0	0	0	110	P235 H239 N240 L241	P235-T237 HydrophobicContact CB-CG2 4.2Å; P235-T237 HydrophobicContact CG-CG2 4.1Å; P235-T237 PolarHBondContact O-N 3.01Å; T237-H239 PolarHBondContact O-N 3.38Å; T237-N240 PolarHBondContact O-N 3.23Å; T237-N240 WeakPolarHBondContact OG1-CB 3.37Å; T237-N240 PolarHBondContact OG1-N 2.78Å; T237-N240 PolarHBondContact OG1-ND2 3.13Å; T237-N240 PolarHBondContact OG1-OD1 3.01Å; T237-L241 PolarHBondContact O-N 2.82Å
238	A	98.6	Very high	98.4	Very high	75 Å²	75	32 Å²	32	62%	0.62	18%	0.178	S	C	*	.	H	α-helix	trans	-55.9	-41	177.4	0	0	0	0	0	112.1	E242	A238-E242 PolarHBondContact O-N 3.13Å
239	H	98.6	Very high	98.2	Very high	98 Å²	98	36.7 Å²	36.7	45%	0.454	20%	0.2	S	C	.	.	H	α-helix	trans	-68.4	-44.8	177.6	-176.6	53.3	0	0	0	113.1	T237 L241 E242 L243	T237-H239 PolarHBondContact O-N 3.38Å; H239-L241 VanDerWaalsContact C-N 3.33Å; H239-L241 PolarHBondContact O-N 3.16Å; H239-E242 WeakPolarHBondContact O-CB 3.49Å; H239-E242 PolarHBondContact O-N 2.68Å; H239-L243 WeakPolarHBondContact O-CG 3.25Å; H239-L243 PolarHBondContact O-N 2.97Å
240	N	98.8	Very high	98	Very high	11 Å²	11	39.1 Å²	39.1	6%	0.059	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-36.4	-179.4	-68.5	-8.4	0	0	0	111.9	I234 P235 T237 L243 Y244 V262 I283	I234-N240 HydrophobicContact CG2-CB 3.91Å; I234-N240 WeakPolarHBondContact CG2-ND2 3.45Å; P235-N240 WeakPolarHBondContact O-CB 3.44Å; P235-N240 PolarHBondContact O-ND2 3Å; T237-N240 PolarHBondContact O-N 3.23Å; T237-N240 WeakPolarHBondContact OG1-CB 3.37Å; T237-N240 PolarHBondContact OG1-N 2.78Å; T237-N240 PolarHBondContact OG1-ND2 3.13Å; T237-N240 PolarHBondContact OG1-OD1 3.01Å; N240-L243 PolarHBondContact O-N 3.18Å; N240-Y244 WeakPolarHBondContact O-CB 3.26Å; N240-Y244 PolarHBondContact O-N 3.3Å; N240-V262 HydrophobicContact CB-CG1 4.43Å; N240-V262 WeakPolarHBondContact OD1-CG1 3.38Å; N240-I283 HydrophobicContact CB-CD1 4.11Å
241	L	98.8	Very high	97.3	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-69.9	-34	175.4	-72.2	169.2	0	0	0	112.5	P236 T237 H239 Y244 E245 I283 M307 K310 I311 I314	P236-L241 HydrophobicContact CB-CD1 4Å; P236-L241 HydrophobicContact CB-CG 4.35Å; P236-L241 WeakPolarHBondContact O-CD1 3.33Å; T237-L241 PolarHBondContact O-N 2.82Å; H239-L241 VanDerWaalsContact C-N 3.33Å; H239-L241 PolarHBondContact O-N 3.16Å; L241-Y244 PolarHBondContact O-N 3.14Å; L241-E245 WeakPolarHBondContact O-CB 3.46Å; L241-E245 PolarHBondContact O-N 3.09Å; L241-I283 HydrophobicContact CD2-CD1 4.07Å; L241-I283 HydrophobicContact CD2-CG1 4.16Å; L241-M307 HydrophobicContact CD1-CE 4.28Å; L241-M307 HydrophobicContact CD1-SD 3.8Å; L241-K310 HydrophobicContact CD1-CD 3.9Å; L241-I311 HydrophobicContact CD1-CD1 4.38Å; L241-I311 HydrophobicContact CD2-CD1 3.67Å; L241-I314 HydrophobicContact CB-CD1 4.27Å; L241-I314 HydrophobicContact CD2-CD1 4.02Å
242	E	98.6	Very high	96.7	Very high	115 Å²	115	46.7 Å²	46.7	54%	0.537	27%	0.267	S	S	.	.	H	α-helix	trans	-66.2	-43	170.5	176.8	-179.8	-144.3	0	0	111.6	A238 H239 N246	A238-E242 PolarHBondContact O-N 3.13Å; H239-E242 WeakPolarHBondContact O-CB 3.49Å; H239-E242 PolarHBondContact O-N 2.68Å; E242-N246 WeakPolarHBondContact O-CB 3.46Å; E242-N246 PolarHBondContact O-N 3.16Å; E242-N246 PolarHBondContact O-ND2 3.1Å
243	L	98.4	Very high	96.1	Very high	41 Å²	41	49.9 Å²	49.9	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-43.4	173.5	-72.9	175.1	0	0	0	111.8	H239 N240 W247 V262	H239-L243 WeakPolarHBondContact O-CG 3.25Å; H239-L243 PolarHBondContact O-N 2.97Å; N240-L243 PolarHBondContact O-N 3.18Å; L243-W247 WeakPolarHBondContact O-CB 3.37Å; L243-W247 PolarHBondContact O-N 2.67Å; L243-V262 HydrophobicContact CD1-CG1 4.06Å
244	Y	98.6	Very high	95.4	Very high	18 Å²	18	51.3 Å²	51.3	7%	0.071	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-47.3	177.3	172.1	-111	0	0	0	112.5	V213 N240 L241 N246 W247 L248 L258 I283 I314	V213-Y244 HydrophobicContact CB-CE1 4.2Å; V213-Y244 HydrophobicContact CG2-CD1 4.15Å; V213-Y244 HydrophobicContact CG2-CE1 3.67Å; V213-Y244 HydrophobicContact CG2-CE2 4.48Å; V213-Y244 PolarHBondContact N-OH 2.94Å; V213-Y244 VanDerWaalsContact N-OH 3.07Å; N240-Y244 WeakPolarHBondContact O-CB 3.26Å; N240-Y244 PolarHBondContact O-N 3.3Å; L241-Y244 PolarHBondContact O-N 3.14Å; Y244-N246 PolarHBondContact O-N 2.76Å; Y244-W247 HydrophobicContact CD2-CE3 4.05Å; Y244-W247 HydrophobicContact CD2-CZ3 4.29Å; Y244-W247 HydrophobicContact CE2-CE3 4.25Å; Y244-W247 HydrophobicContact CE2-CZ3 4.07Å; Y244-W247 PolarHBondContact O-N 3.45Å; Y244-L248 HydrophobicContact CD1-CD1 4.23Å; Y244-L248 HydrophobicContact CD2-CG 4.42Å; Y244-L248 HydrophobicContact CE1-CD1 3.64Å; Y244-L248 HydrophobicContact CE1-CG 4.42Å; Y244-L248 HydrophobicContact CE2-CD1 4.08Å; Y244-L248 HydrophobicContact CE2-CD2 4.21Å; Y244-L248 HydrophobicContact CE2-CG 4.04Å; Y244-L248 WeakPolarHBondContact O-CG 3.01Å; Y244-L248 PolarHBondContact O-N 3.03Å; Y244-L258 HydrophobicContact CD2-CD2 3.87Å; Y244-I283 HydrophobicContact CD1-CG1 4.39Å; Y244-I283 HydrophobicContact CD2-CG1 4.32Å; Y244-I283 HydrophobicContact CD2-CG2 3.76Å; Y244-I283 HydrophobicContact CE2-CG2 4.13Å; Y244-I283 HydrophobicContact CG-CD1 4.14Å; Y244-I283 HydrophobicContact CG-CG1 4.05Å; Y244-I283 HydrophobicContact CG-CG2 4.32Å; Y244-I314 HydrophobicContact CE1-CG2 4.46Å
245	E	98.3	Very high	95	Very high	31 Å²	31	55.1 Å²	55.1	15%	0.145	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-45	177.7	-177.7	171.9	172.8	0	0	111.6	L241 W247 L248 L249 I314 R317 T318	L241-E245 WeakPolarHBondContact O-CB 3.46Å; L241-E245 PolarHBondContact O-N 3.09Å; E245-W247 VanDerWaalsContact C-N 3.33Å; E245-W247 PolarHBondContact O-N 2.91Å; E245-L248 PolarHBondContact O-N 2.9Å; E245-L249 HydrophobicContact CG-CD1 4.14Å; E245-L249 VanDerWaalsContact O-CG 3.32Å; E245-L249 WeakPolarHBondContact O-CG 3.43Å; E245-L249 PolarHBondContact O-N 2.94Å; E245-I314 HydrophobicContact CB-CG2 4.17Å; E245-I314 HydrophobicContact CG-CG2 4.14Å; E245-R317 WeakPolarHBondContact OE1-CB 3.5Å; E245-R317 WeakPolarHBondContact OE1-CD 3.37Å; E245-R317 IonicContact OE1-CZ 3.73Å; E245-R317 IonicContact OE1-NE 3.95Å; E245-R317 PolarHBondContact OE1-NE 2.98Å; E245-R317 IonicContact OE1-NH2 2.74Å; E245-R317 IonicContact OE2-CZ 3.85Å; E245-R317 IonicContact OE2-NE 3.57Å; E245-R317 PolarHBondContact OE2-NE 3.29Å; E245-R317 IonicContact OE2-NH2 2.73Å; E245-R317 PolarHBondContact OE2-NH2 3.07Å; E245-T318 HydrophobicContact CG-CG2 3.97Å
246	N	97.8	Very high	94.8	Very high	93 Å²	93	56.5 Å²	56.5	50%	0.497	32%	0.322	S	S	.	.	H	α-helix	trans	-64.3	-36.8	175.4	-75.4	-55.9	0	0	0	112.5	E242 Y244 L249 S250	E242-N246 WeakPolarHBondContact O-CB 3.46Å; E242-N246 PolarHBondContact O-N 3.16Å; E242-N246 PolarHBondContact O-ND2 3.1Å; Y244-N246 PolarHBondContact O-N 2.76Å; N246-L249 PolarHBondContact O-N 3.35Å; N246-S250 WeakPolarHBondContact O-CB 3.35Å; N246-S250 PolarHBondContact O-N 3.3Å
247	W	96.9	Very high	94.8	Very high	13 Å²	13	55.6 Å²	55.6	5%	0.049	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-45.8	175.5	172.6	86	0	0	0	111.5	F211 L243 Y244 E245 L249 S250 Q253 I256 L258	F211-W247 HydrophobicContact CB-CH2 4.03Å; F211-W247 HydrophobicContact CB-CZ3 4.32Å; F211-W247 VanDerWaalsContact O-CH2 3.3Å; F211-W247 WeakPolarHBondContact O-CH2 3.49Å; F211-W247 WeakPolarHBondContact O-CZ3 3.36Å; L243-W247 WeakPolarHBondContact O-CB 3.37Å; L243-W247 PolarHBondContact O-N 2.67Å; Y244-W247 HydrophobicContact CD2-CE3 4.05Å; Y244-W247 HydrophobicContact CD2-CZ3 4.29Å; Y244-W247 HydrophobicContact CE2-CE3 4.25Å; Y244-W247 HydrophobicContact CE2-CZ3 4.07Å; Y244-W247 PolarHBondContact O-N 3.45Å; E245-W247 VanDerWaalsContact C-N 3.33Å; E245-W247 PolarHBondContact O-N 2.91Å; W247-L249 PolarHBondContact O-N 2.86Å; W247-S250 WeakPolarHBondContact O-CB 3.42Å; W247-S250 PolarHBondContact O-N 3.38Å; W247-S250 PolarHBondContact O-OG 3.23Å; W247-Q253 HydrophobicContact CD2-CG 4.17Å; W247-Q253 HydrophobicContact CE3-CG 4.31Å; W247-Q253 HydrophobicContact CH2-CB 3.99Å; W247-Q253 HydrophobicContact CH2-CG 3.85Å; W247-Q253 HydrophobicContact CZ2-CB 3.56Å; W247-Q253 HydrophobicContact CZ2-CG 3.7Å; W247-Q253 HydrophobicContact CZ3-CG 4.15Å; W247-I256 PolarHBondContact NE1-O 2.9Å; W247-L258 HydrophobicContact CB-CD1 4.06Å; W247-L258 HydrophobicContact CD2-CD1 4.46Å; W247-L258 HydrophobicContact CD2-CD2 4.47Å; W247-L258 HydrophobicContact CE3-CD2 4.4Å; W247-L258 HydrophobicContact CG-CD1 4.01Å
248	L	94.8	Very high	94.7	Very high	40 Å²	40	52.8 Å²	52.8	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-55.9	-49.9	173.5	-74.4	178.9	0	0	0	111.6	Y244 E245 S250 G251 Q253 T318	Y244-L248 HydrophobicContact CD1-CD1 4.23Å; Y244-L248 HydrophobicContact CD2-CG 4.42Å; Y244-L248 HydrophobicContact CE1-CD1 3.64Å; Y244-L248 HydrophobicContact CE1-CG 4.42Å; Y244-L248 HydrophobicContact CE2-CD1 4.08Å; Y244-L248 HydrophobicContact CE2-CD2 4.21Å; Y244-L248 HydrophobicContact CE2-CG 4.04Å; Y244-L248 WeakPolarHBondContact O-CG 3.01Å; Y244-L248 PolarHBondContact O-N 3.03Å; E245-L248 PolarHBondContact O-N 2.9Å; L248-S250 PolarHBondContact O-N 3.25Å; L248-G251 PolarHBondContact O-N 2.98Å; L248-Q253 PolarHBondContact O-NE2 2.76Å; L248-T318 HydrophobicContact CB-CG2 4.1Å; L248-T318 HydrophobicContact CD1-CG2 3.92Å
249	L	94.8	Very high	94.7	Very high	103 Å²	103	49.4 Å²	49.4	54%	0.539	27%	0.271	S	S	.	.	H	α-helix	trans	-67	-21.6	-179.8	-68.8	172.4	0	0	0	113.7	E245 N246 W247 G251 T318	E245-L249 HydrophobicContact CG-CD1 4.14Å; E245-L249 VanDerWaalsContact O-CG 3.32Å; E245-L249 WeakPolarHBondContact O-CG 3.43Å; E245-L249 PolarHBondContact O-N 2.94Å; N246-L249 PolarHBondContact O-N 3.35Å; W247-L249 PolarHBondContact O-N 2.86Å; L249-G251 VanDerWaalsContact C-N 3.33Å; L249-G251 PolarHBondContact O-N 2.69Å; L249-T318 HydrophobicContact CD2-CG2 4.19Å; L249-T318 HydrophobicContact CG-CG2 4.18Å
250	S	93.4	Very high	94.7	Very high	55 Å²	55	48 Å²	48	39%	0.385	27%	0.267	S	S	.	.	H	α-helix	trans	-73.7	-22.2	-178.3	77.2	0	0	0	0	114.2	N246 W247 L248 K252	N246-S250 WeakPolarHBondContact O-CB 3.35Å; N246-S250 PolarHBondContact O-N 3.3Å; W247-S250 WeakPolarHBondContact O-CB 3.42Å; W247-S250 PolarHBondContact O-N 3.38Å; W247-S250 PolarHBondContact O-OG 3.23Å; L248-S250 PolarHBondContact O-N 3.25Å; S250-K252 PolarHBondContact O-N 3.2Å; S250-K252 VanDerWaalsContact O-N 3.16Å; S250-K252 PolarHBondContact OG-N 3.38Å; S250-K252 VanDerWaalsContact OG-N 3.12Å
251	G	85.2	Confident	94.6	Very high	60 Å²	60	55 Å²	55	62%	0.619	29%	0.292	S	S	*	.	S	Bend	trans	70.9	-9.2	-169.6	0	0	0	0	0	115.2	L248 L249 Q253	L248-G251 PolarHBondContact O-N 2.98Å; L249-G251 VanDerWaalsContact C-N 3.33Å; L249-G251 PolarHBondContact O-N 2.69Å; G251-Q253 PolarHBondContact O-N 2.9Å
252	K	85.3	Confident	94.6	Very high	117 Å²	117	55.8 Å²	55.8	51%	0.509	30%	0.297	S	S	.	.			trans	-85.3	39	-174	-59.2	-169.1	179.3	-169.3	0	113.5	S250 D255 I256	S250-K252 PolarHBondContact O-N 3.2Å; S250-K252 VanDerWaalsContact O-N 3.16Å; S250-K252 PolarHBondContact OG-N 3.38Å; S250-K252 VanDerWaalsContact OG-N 3.12Å; K252-D255 HydrophobicContact CB-CB 4.24Å; K252-D255 PolarHBondContact O-N 3.09Å; K252-I256 HydrophobicContact CB-CD1 4.12Å; K252-I256 PolarHBondContact O-N 2.85Å
253	Q	86.9	Confident	94.6	Very high	67 Å²	67	55.2 Å²	55.2	31%	0.313	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-46	-172.8	-62.4	174.6	16.1	0	0	110.6	W247 L248 G251 D255 I256	W247-Q253 HydrophobicContact CD2-CG 4.17Å; W247-Q253 HydrophobicContact CE3-CG 4.31Å; W247-Q253 HydrophobicContact CH2-CB 3.99Å; W247-Q253 HydrophobicContact CH2-CG 3.85Å; W247-Q253 HydrophobicContact CZ2-CB 3.56Å; W247-Q253 HydrophobicContact CZ2-CG 3.7Å; W247-Q253 HydrophobicContact CZ3-CG 4.15Å; L248-Q253 PolarHBondContact O-NE2 2.76Å; G251-Q253 PolarHBondContact O-N 2.9Å; Q253-D255 PolarHBondContact O-N 2.97Å; Q253-I256 PolarHBondContact O-N 3.13Å
254	G	85.1	Confident	94.6	Very high	29 Å²	29	57.7 Å²	57.7	30%	0.299	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.7	174.8	0	0	0	0	0	115.5	R36 T37 F38	R36-G254 WeakPolarHBondContact CA-O 3.46Å; T37-G254 PolarHBondContact N-O 2.94Å; F38-G254 WeakPolarHBondContact CD1-O 3.5Å
255	D	90.4	Very high	94.6	Very high	80 Å²	80	57.2 Å²	57.2	43%	0.428	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-31.7	-179.1	-58.6	-30.3	0	0	0	112.7	T37 K252 Q253	T37-D255 WeakPolarHBondContact CG2-OD1 3.06Å; T37-D255 WeakPolarHBondContact OG1-CA 3.29Å; K252-D255 HydrophobicContact CB-CB 4.24Å; K252-D255 PolarHBondContact O-N 3.09Å; Q253-D255 PolarHBondContact O-N 2.97Å
256	I	94.6	Very high	94.6	Very high	50 Å²	50	56.4 Å²	56.4	26%	0.256	32%	0.315	S	S	.	.			trans	-121.9	104.6	-164.8	-59.9	173	0	0	0	110.2	W247 K252 Q253 L258 R261	W247-I256 PolarHBondContact NE1-O 2.9Å; K252-I256 HydrophobicContact CB-CD1 4.12Å; K252-I256 PolarHBondContact O-N 2.85Å; Q253-I256 PolarHBondContact O-N 3.13Å; I256-L258 PolarHBondContact O-N 3.37Å; I256-L258 VanDerWaalsContact O-N 3.1Å; I256-R261 HydrophobicContact CG2-CG 3.5Å; I256-R261 VanDerWaalsContact CG2-CG 3.5Å
257	F	97.4	Very high	94.7	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.026	30%	0.302	C	S	.	.			trans	-67	105.5	166.7	-168.6	-99.7	0	0	0	109.8	F38 L40 K43 Y49 Y208 F211 W232 G259 D260	F38-F257 HydrophobicContact CB-CB 4.36Å; F38-F257 HydrophobicContact CD1-CB 4.08Å; F38-F257 HydrophobicContact CD2-CB 4.13Å; F38-F257 AromaticContact CD2-CD2 3.87Å; F38-F257 HydrophobicContact CD2-CD2 3.87Å; F38-F257 HydrophobicContact CD2-CG 4.39Å; F38-F257 HydrophobicContact CE1-CB 4.34Å; F38-F257 HydrophobicContact CE1-CD2 4.45Å; F38-F257 HydrophobicContact CE2-CB 4.42Å; F38-F257 AromaticContact CE2-CD2 3.51Å; F38-F257 HydrophobicContact CE2-CD2 3.51Å; F38-F257 HydrophobicContact CE2-CE2 4.25Å; F38-F257 HydrophobicContact CE2-CG 4.41Å; F38-F257 HydrophobicContact CG-CB 3.95Å; F38-F257 HydrophobicContact CG-CD2 4.5Å; F38-F257 HydrophobicContact CZ-CB 4.5Å; F38-F257 AromaticContact CZ-CD2 3.81Å; F38-F257 HydrophobicContact CZ-CD2 3.81Å; L40-F257 HydrophobicContact CD1-CE2 4.48Å; K43-F257 HydrophobicContact CB-CE1 4.17Å; K43-F257 HydrophobicContact CB-CE2 4.07Å; K43-F257 HydrophobicContact CB-CZ 3.87Å; K43-F257 HydrophobicContact CD-CB 4.44Å; K43-F257 HydrophobicContact CD-CD1 3.87Å; K43-F257 HydrophobicContact CD-CD2 4.4Å; K43-F257 HydrophobicContact CD-CE1 4.21Å; K43-F257 HydrophobicContact CD-CG 3.97Å; K43-F257 HydrophobicContact CG-CD1 4.06Å; K43-F257 HydrophobicContact CG-CD2 3.85Å; K43-F257 HydrophobicContact CG-CE1 4.1Å; K43-F257 HydrophobicContact CG-CE2 3.87Å; K43-F257 HydrophobicContact CG-CG 3.93Å; K43-F257 HydrophobicContact CG-CZ 4Å; Y49-F257 HydrophobicContact CE1-CE1 4.07Å; Y49-F257 HydrophobicContact CE2-CE1 4.12Å; Y49-F257 AromaticContact CZ-CE1 3.54Å; Y49-F257 WeakPolarHBondContact OH-CD1 3.29Å; Y49-F257 VanDerWaalsContact OH-CE1 3.22Å; Y49-F257 WeakPolarHBondContact OH-CE1 3.37Å; Y208-F257 HydrophobicContact CE2-CE2 4.3Å; Y208-F257 WeakPolarHBondContact OH-CE2 3.37Å; F211-F257 HydrophobicContact CE2-CD1 4.08Å; F211-F257 AromaticContact CE2-CD2 3.71Å; F211-F257 HydrophobicContact CE2-CD2 3.71Å; F211-F257 AromaticContact CE2-CE1 3.88Å; F211-F257 HydrophobicContact CE2-CE1 3.88Å; F211-F257 AromaticContact CE2-CE2 3.52Å; F211-F257 HydrophobicContact CE2-CE2 3.52Å; F211-F257 HydrophobicContact CE2-CG 4Å; F211-F257 AromaticContact CE2-CZ 3.6Å; F211-F257 HydrophobicContact CE2-CZ 3.6Å; F211-F257 HydrophobicContact CZ-CD1 4.34Å; F211-F257 AromaticContact CZ-CE1 3.76Å; F211-F257 HydrophobicContact CZ-CE1 3.76Å; F211-F257 AromaticContact CZ-CE2 3.98Å; F211-F257 HydrophobicContact CZ-CE2 3.98Å; F211-F257 AromaticContact CZ-CZ 3.57Å; F211-F257 HydrophobicContact CZ-CZ 3.57Å; W232-F257 AromaticContact CD1-CZ 3.73Å; W232-F257 AromaticContact CD2-CZ 3.84Å; W232-F257 HydrophobicContact CD2-CZ 3.84Å; W232-F257 AromaticContact CE2-CZ 3.7Å; W232-F257 HydrophobicContact CG-CE1 4.48Å; W232-F257 AromaticContact CG-CZ 3.86Å; W232-F257 HydrophobicContact CG-CZ 3.86Å; W232-F257 HydrophobicContact CZ2-CZ 4.29Å; W232-F257 AromaticContact NE1-CZ 3.61Å; F257-G259 PolarHBondContact O-N 3.23Å; F257-G259 VanDerWaalsContact O-N 3.14Å; F257-D260 WeakPolarHBondContact O-CB 3.42Å; F257-D260 PolarHBondContact O-N 2.99Å
258	L	98	Very high	94.7	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-60.9	-28.5	-170.9	-170.4	65	0	0	0	113.4	F211 I234 Y244 W247 I256 D260 R261 I283	F211-L258 HydrophobicContact CB-CB 4.06Å; F211-L258 HydrophobicContact CB-CD2 3.93Å; F211-L258 HydrophobicContact CD1-CB 4.27Å; F211-L258 HydrophobicContact CD2-CB 3.54Å; F211-L258 HydrophobicContact CE2-CB 4Å; F211-L258 HydrophobicContact CG-CB 3.69Å; F211-L258 HydrophobicContact CG-CD2 4.22Å; I234-L258 HydrophobicContact CD1-CB 4.47Å; I234-L258 HydrophobicContact CD1-CD2 4.38Å; I234-L258 HydrophobicContact CD1-CG 4.14Å; Y244-L258 HydrophobicContact CD2-CD2 3.87Å; W247-L258 HydrophobicContact CB-CD1 4.06Å; W247-L258 HydrophobicContact CD2-CD1 4.46Å; W247-L258 HydrophobicContact CD2-CD2 4.47Å; W247-L258 HydrophobicContact CE3-CD2 4.4Å; W247-L258 HydrophobicContact CG-CD1 4.01Å; I256-L258 PolarHBondContact O-N 3.37Å; I256-L258 VanDerWaalsContact O-N 3.1Å; L258-D260 PolarHBondContact O-N 2.72Å; L258-D260 VanDerWaalsContact O-N 3.16Å; L258-R261 HydrophobicContact CD1-CB 4.22Å; L258-R261 HydrophobicContact CD1-CG 4.42Å; L258-R261 WeakPolarHBondContact O-CB 3.48Å; L258-R261 PolarHBondContact O-N 2.93Å; L258-I283 HydrophobicContact CD2-CG2 3.8Å
259	G	98.1	Very high	94.9	Very high	4 Å²	4	58.1 Å²	58.1	4%	0.041	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-60.1	-18.9	172.4	0	0	0	0	0	114.9	F211 F257	F211-G259 VanDerWaalsContact CZ-N 3.34Å; F257-G259 PolarHBondContact O-N 3.23Å; F257-G259 VanDerWaalsContact O-N 3.14Å
260	D	98.1	Very high	95.1	Very high	68 Å²	68	53.2 Å²	53.2	36%	0.364	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-90.1	-0.4	173.7	-71.9	-9.9	0	0	0	113	K43 K48 Y49 F257 L258	K43-D260 IonicContact NZ-OD2 2.68Å; K43-D260 PolarHBondContact NZ-OD2 2.66Å; K48-D260 WeakPolarHBondContact CE-OD1 3.47Å; K48-D260 VanDerWaalsContact NZ-CG 3.27Å; K48-D260 IonicContact NZ-OD1 3.71Å; K48-D260 PolarHBondContact NZ-OD1 3.19Å; K48-D260 IonicContact NZ-OD2 2.81Å; K48-D260 PolarHBondContact NZ-OD2 3.38Å; Y49-D260 VanDerWaalsContact CE1-OD1 3.29Å; Y49-D260 WeakPolarHBondContact CE1-OD1 3.39Å; Y49-D260 VanDerWaalsContact CZ-OD1 3.3Å; Y49-D260 PolarHBondContact OH-OD1 2.63Å; F257-D260 WeakPolarHBondContact O-CB 3.42Å; F257-D260 PolarHBondContact O-N 2.99Å; L258-D260 PolarHBondContact O-N 2.72Å; L258-D260 VanDerWaalsContact O-N 3.16Å
261	R	97.9	Very high	95.4	Very high	158 Å²	158	55.1 Å²	55.1	60%	0.596	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-12.7	-176.6	-57.1	-60.5	-63.3	-175.6	-1.7	114.1	I256 L258	I256-R261 HydrophobicContact CG2-CG 3.5Å; I256-R261 VanDerWaalsContact CG2-CG 3.5Å; L258-R261 HydrophobicContact CD1-CB 4.22Å; L258-R261 HydrophobicContact CD1-CG 4.42Å; L258-R261 WeakPolarHBondContact O-CB 3.48Å; L258-R261 PolarHBondContact O-N 2.93Å
262	V	98.4	Very high	96	Very high	19 Å²	19	57.4 Å²	57.4	12%	0.115	29%	0.287	C	S	.	.	S	Bend	trans	-104.4	157.6	-179.6	-62.4	0	0	0	0	110.9	I234 N240 L243 C265	I234-V262 HydrophobicContact CD1-CG1 4.25Å; I234-V262 HydrophobicContact CD1-CG2 3.94Å; I234-V262 HydrophobicContact CG1-CG2 4Å; I234-V262 HydrophobicContact CG2-CB 4.37Å; I234-V262 HydrophobicContact CG2-CG1 3.84Å; I234-V262 HydrophobicContact CG2-CG2 4.17Å; N240-V262 HydrophobicContact CB-CG1 4.43Å; N240-V262 WeakPolarHBondContact OD1-CG1 3.38Å; L243-V262 HydrophobicContact CD1-CG1 4.06Å; V262-C265 HydrophobicContact CG2-CB 3.96Å
263	S	97.6	Very high	96.6	Very high	104 Å²	104	53.1 Å²	53.1	73%	0.727	28%	0.276	S	S	*	.	S	Bend	trans	-64.8	-42.8	178.9	-53.7	0	0	0	0	112.7
264	D	98.4	Very high	97.2	Very high	92 Å²	92	52 Å²	52	49%	0.492	27%	0.269	S	S	.	.			trans	-133.8	126.9	-173.9	-62.7	-81.4	0	0	0	109.9	A51 F53	A51-D264 HydrophobicContact CB-CB 4.07Å; F53-D264 HydrophobicContact CE1-CB 4.45Å; F53-D264 HydrophobicContact CZ-CB 3.74Å
265	C	98.8	Very high	97.9	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.054	26%	0.255	C	S	.	.			trans	-140.4	138.7	175.5	175.7	0	0	0	0	108.2	Y49 N50 A51 L233 I234 V262	Y49-C265 CarbonylContact C-O 3.51Å; Y49-C265 WeakPolarHBondContact CA-O 3.36Å; Y49-C265 HydrophobicContact CD1-CB 3.98Å; N50-C265 PolarHBondContact N-O 2.77Å; A51-C265 WeakPolarHBondContact CB-O 3.49Å; A51-C265 PolarHBondContact N-O 3.14Å; L233-C265 WeakPolarHBondContact O-CA 3.35Å; I234-C265 HydrophobicContact CG1-CB 4.27Å; V262-C265 HydrophobicContact CG2-CB 3.96Å
266	Q	98.9	Very high	98.3	Very high	15 Å²	15	46.8 Å²	46.8	7%	0.07	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.2	176.1	179.3	169.1	23.5	0	0	109.6	A51 F53 W232 L233 I268	A51-Q266 HydrophobicContact CB-CB 4.2Å; A51-Q266 VanDerWaalsContact O-CB 3.25Å; A51-Q266 WeakPolarHBondContact O-CB 3.48Å; A51-Q266 WeakPolarHBondContact O-CG 3.47Å; A51-Q266 PolarHBondContact O-NE2 3.15Å; F53-Q266 HydrophobicContact CD2-CB 3.62Å; F53-Q266 HydrophobicContact CE2-CB 4.06Å; W232-Q266 CarbonylContact C-O 3.04Å; W232-Q266 WeakPolarHBondContact CA-O 3.28Å; L233-Q266 HydrophobicContact CB-CB 4.44Å; L233-Q266 PolarHBondContact N-O 3.49Å; L233-Q266 PolarHBondContact O-N 2.9Å; Q266-I268 HydrophobicContact CG-CB 4.46Å
267	R	98.8	Very high	98.5	Very high	58 Å²	58	44.4 Å²	44.4	22%	0.219	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.8	162.4	-168.7	-177.5	69.5	-124.4	-8.6	109.3	K43 L44 T46 Y49 V230 F231 W232	K43-R267 PolarHBondContact O-NH1 3.32Å; L44-R267 PolarHBondContact O-NE 3.1Å; L44-R267 PolarHBondContact O-NH1 3.45Å; L44-R267 VanDerWaalsContact O-NH1 3.11Å; L44-R267 PolarHBondContact O-NH2 3.13Å; L44-R267 VanDerWaalsContact O-NH2 3.15Å; T46-R267 VanDerWaalsContact O-CZ 3.26Å; T46-R267 PolarHBondContact O-NH1 3.02Å; T46-R267 PolarHBondContact O-NH2 3.24Å; Y49-R267 HydrophobicContact CD2-CB 4.19Å; Y49-R267 HydrophobicContact CG-CB 4.39Å; Y49-R267 PolarHBondContact O-N 3.03Å; V230-R267 HydrophobicContact CG1-CG 3.53Å; F231-R267 CarbonylContact O-C 3.56Å; F231-R267 VanDerWaalsContact O-CA 3.26Å; F231-R267 WeakPolarHBondContact O-CA 3.32Å; W232-R267 HydrophobicContact CD2-CG 4.22Å; W232-R267 HydrophobicContact CG-CB 4.44Å; W232-R267 HydrophobicContact CG-CG 4.28Å; W232-R267 HydrophobicContact CZ2-CG 4.4Å
268	I	98.8	Very high	98.6	Very high	20 Å²	20	44.2 Å²	44.2	10%	0.103	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.1	-179.8	-164.1	159.1	0	0	0	112.6	V54 F56 I77 V230 F231 L233 Q266	V54-I268 HydrophobicContact CB-CD1 3.81Å; V54-I268 HydrophobicContact CG1-CD1 3.86Å; V54-I268 HydrophobicContact CG2-CD1 3.75Å; V54-I268 HydrophobicContact CG2-CG2 4.44Å; F56-I268 HydrophobicContact CZ-CD1 4.03Å; I77-I268 HydrophobicContact CD1-CD1 3.44Å; I77-I268 VanDerWaalsContact CD1-CD1 3.44Å; I77-I268 HydrophobicContact CD1-CG1 4.02Å; V230-I268 CarbonylContact C-O 3.58Å; V230-I268 WeakPolarHBondContact CA-O 3.13Å; F231-I268 HydrophobicContact CB-CG2 3.99Å; F231-I268 PolarHBondContact N-O 3.43Å; F231-I268 PolarHBondContact O-N 3.36Å; L233-I268 HydrophobicContact CD1-CG2 3.98Å; L233-I268 HydrophobicContact CG-CG2 4.48Å; Q266-I268 HydrophobicContact CG-CB 4.46Å
269	E	98.8	Very high	98.6	Very high	103 Å²	103	44.1 Å²	44.1	48%	0.481	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.1	178.4	-170.6	-166.8	175	0	0	110	K271	E269-K271 HydrophobicContact CG-CG 4.49Å; E269-K271 WeakPolarHBondContact OE1-CE 3.42Å; E269-K271 IonicContact OE1-NZ 3.45Å; E269-K271 PolarHBondContact OE1-NZ 3.16Å; E269-K271 WeakPolarHBondContact OE2-CE 3.4Å; E269-K271 IonicContact OE2-NZ 3.61Å; E269-K271 PolarHBondContact OE2-NZ 3.37Å
270	L	98.8	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.4	168.2	-53.8	-173.8	0	0	0	109.4	I77 Y222 I224 G228 K229 F231 F276	I77-L270 HydrophobicContact CD1-CD2 3.34Å; I77-L270 HydrophobicContact CG1-CD2 3.85Å; Y222-L270 HydrophobicContact CD1-CD1 4.32Å; I224-L270 HydrophobicContact CD1-CB 4.09Å; I224-L270 HydrophobicContact CD1-CD1 4.17Å; I224-L270 HydrophobicContact CG1-CB 3.83Å; I224-L270 HydrophobicContact CG1-CD1 4.49Å; G228-L270 CarbonylContact C-O 3.51Å; G228-L270 VanDerWaalsContact CA-O 3.25Å; G228-L270 WeakPolarHBondContact CA-O 3.49Å; K229-L270 HydrophobicContact CB-CB 4.4Å; K229-L270 PolarHBondContact N-O 3.2Å; K229-L270 PolarHBondContact O-N 3.16Å; F231-L270 HydrophobicContact CD2-CD1 3.72Å; F231-L270 HydrophobicContact CD2-CG 4Å; F231-L270 HydrophobicContact CE2-CD1 3.42Å; F231-L270 VanDerWaalsContact CE2-CD1 3.42Å; F231-L270 HydrophobicContact CE2-CG 4.17Å; F231-L270 HydrophobicContact CZ-CD1 4.24Å; L270-F276 HydrophobicContact CD1-CB 3.61Å; L270-F276 HydrophobicContact CD1-CD1 3.68Å; L270-F276 HydrophobicContact CD1-CG 3.83Å; L270-F276 HydrophobicContact CD2-CB 4.04Å; L270-F276 HydrophobicContact CD2-CD1 4.42Å; L270-F276 HydrophobicContact CD2-CD2 4.31Å; L270-F276 HydrophobicContact CD2-CG 4.03Å
271	K	98.8	Very high	98.7	Very high	95 Å²	95	40.8 Å²	40.8	41%	0.413	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	161.2	-180	-59.5	-170	177.4	-163	0	110.5	I224 E269 G273 Y274	I224-K271 WeakPolarHBondContact CB-O 3.44Å; E269-K271 HydrophobicContact CG-CG 4.49Å; E269-K271 WeakPolarHBondContact OE1-CE 3.42Å; E269-K271 IonicContact OE1-NZ 3.45Å; E269-K271 PolarHBondContact OE1-NZ 3.16Å; E269-K271 WeakPolarHBondContact OE2-CE 3.4Å; E269-K271 IonicContact OE2-NZ 3.61Å; E269-K271 PolarHBondContact OE2-NZ 3.37Å; K271-G273 PolarHBondContact O-N 3.02Å; K271-Y274 HydrophobicContact CB-CD1 4.24Å; K271-Y274 HydrophobicContact CB-CE1 4.16Å; K271-Y274 HydrophobicContact CB-CE2 4.43Å; K271-Y274 HydrophobicContact CB-CG 4.43Å; K271-Y274 WeakPolarHBondContact O-CB 3.48Å; K271-Y274 PolarHBondContact O-N 3.27Å
272	Q	98.8	Very high	98.7	Very high	109 Å²	109	33.9 Å²	33.9	51%	0.509	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	135.7	171.2	-173.7	166.7	-24	0	0	112.1	H225 G227 Y274	H225-Q272 WeakPolarHBondContact O-CG 3.44Å; H225-Q272 PolarHBondContact O-NE2 2.65Å; G227-Q272 PolarHBondContact O-N 2.9Å; G227-Q272 VanDerWaalsContact O-N 3.12Å; Q272-Y274 VanDerWaalsContact C-N 3.27Å; Q272-Y274 PolarHBondContact O-N 3.13Å
273	G	98.5	Very high	98.8	Very high	26 Å²	26	33 Å²	33	27%	0.268	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	-13.1	-174.6	0	0	0	0	0	115.3	H223 I224 K271	H223-G273 PolarHBondContact CE1-O 3.38Å; H223-G273 VanDerWaalsContact CE1-O 3.32Å; I224-G273 PolarHBondContact O-N 2.92Å; K271-G273 PolarHBondContact O-N 3.02Å
274	Y	98.9	Very high	98.8	Very high	43 Å²	43	28.4 Å²	28.4	17%	0.169	14%	0.138	C	C	.	.			trans	-72	138.9	178	-74	18.9	0	0	0	110.3	I77 F78 K79 I224 K271 Q272	I77-Y274 HydrophobicContact CG2-CD2 3.65Å; I77-Y274 HydrophobicContact CG2-CE2 4.08Å; I77-Y274 HydrophobicContact CG2-CG 4.27Å; F78-Y274 WeakPolarHBondContact O-CA 3.19Å; K79-Y274 HydrophobicContact CB-CD1 4.3Å; K79-Y274 HydrophobicContact CB-CE1 3.81Å; K79-Y274 HydrophobicContact CG-CE1 3.97Å; K79-Y274 HydrophobicContact CG-CE2 4.1Å; K79-Y274 WeakPolarHBondContact O-CD1 3.32Å; I224-Y274 PolarHBondContact N-O 3.05Å; K271-Y274 HydrophobicContact CB-CD1 4.24Å; K271-Y274 HydrophobicContact CB-CE1 4.16Å; K271-Y274 HydrophobicContact CB-CE2 4.43Å; K271-Y274 HydrophobicContact CB-CG 4.43Å; K271-Y274 WeakPolarHBondContact O-CB 3.48Å; K271-Y274 PolarHBondContact O-N 3.27Å; Q272-Y274 VanDerWaalsContact C-N 3.27Å; Q272-Y274 PolarHBondContact O-N 3.13Å
275	T	98.9	Very high	98.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.7	166.2	-46.6	0	0	0	0	108.6	I77 F78 L84 P160 Y222 H223	I77-T275 WeakPolarHBondContact CA-O 3.46Å; F78-T275 PolarHBondContact N-O 3.45Å; F78-T275 PolarHBondContact O-N 3.24Å; L84-T275 HydrophobicContact CD1-CG2 4Å; P160-T275 HydrophobicContact CG-CG2 4.41Å; Y222-T275 CarbonylContact O-C 3.49Å; Y222-T275 WeakPolarHBondContact O-CA 3.3Å; H223-T275 PolarHBondContact ND1-OG1 2.87Å
276	F	98.9	Very high	98.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.7	-179.9	-176.6	-135.3	0	0	0	109.7	V54 P75 L76 I77 W221 Y222 F231 L233 L270 I278	V54-F276 HydrophobicContact CG2-CE2 4.22Å; P75-F276 HydrophobicContact CB-CE2 3.81Å; P75-F276 HydrophobicContact CB-CZ 4.06Å; L76-F276 CarbonylContact O-C 3.54Å; L76-F276 VanDerWaalsContact O-CA 3.3Å; L76-F276 WeakPolarHBondContact O-CA 3.48Å; L76-F276 VanDerWaalsContact O-CD2 3.26Å; L76-F276 WeakPolarHBondContact O-CD2 3.41Å; I77-F276 HydrophobicContact CD1-CD2 4.28Å; I77-F276 HydrophobicContact CG1-CD2 3.47Å; I77-F276 VanDerWaalsContact CG1-CD2 3.47Å; I77-F276 HydrophobicContact CG1-CE2 4.05Å; I77-F276 HydrophobicContact CG1-CG 4.33Å; W221-F276 CarbonylContact C-O 3.57Å; W221-F276 WeakPolarHBondContact CA-O 3.5Å; Y222-F276 PolarHBondContact N-O 3.24Å; Y222-F276 PolarHBondContact O-N 3.19Å; F231-F276 HydrophobicContact CD1-CD1 4.47Å; F231-F276 AromaticContact CD1-CE1 3.83Å; F231-F276 HydrophobicContact CD1-CE1 3.83Å; F231-F276 HydrophobicContact CE1-CD1 4.29Å; F231-F276 HydrophobicContact CE1-CE1 4.01Å; F231-F276 HydrophobicContact CE2-CD1 4.5Å; F231-F276 HydrophobicContact CG-CE1 4.12Å; F231-F276 HydrophobicContact CZ-CD1 4.3Å; F231-F276 HydrophobicContact CZ-CE1 4.45Å; L233-F276 HydrophobicContact CD1-CE2 4.47Å; L233-F276 HydrophobicContact CD1-CZ 3.82Å; L233-F276 HydrophobicContact CD2-CE1 4.24Å; L233-F276 HydrophobicContact CD2-CZ 3.91Å; L233-F276 HydrophobicContact CG-CZ 4.5Å; L270-F276 HydrophobicContact CD1-CB 3.61Å; L270-F276 HydrophobicContact CD1-CD1 3.68Å; L270-F276 HydrophobicContact CD1-CG 3.83Å; L270-F276 HydrophobicContact CD2-CB 4.04Å; L270-F276 HydrophobicContact CD2-CD1 4.42Å; L270-F276 HydrophobicContact CD2-CD2 4.31Å; L270-F276 HydrophobicContact CD2-CG 4.03Å; F276-I278 HydrophobicContact CD1-CD1 4.05Å; F276-I278 HydrophobicContact CD1-CG1 3.73Å; F276-I278 HydrophobicContact CE1-CD1 3.64Å; F276-I278 HydrophobicContact CE1-CG1 3.33Å; F276-I278 HydrophobicContact CZ-CG1 3.85Å
277	V	98.9	Very high	98.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.4	174.2	179.4	0	0	0	0	108.9	L72 P75 L76 F78 V220 W221	L72-V277 HydrophobicContact CD1-CG1 4.06Å; L72-V277 HydrophobicContact CD2-CG1 4.36Å; P75-V277 CarbonylContact C-O 3.51Å; P75-V277 VanDerWaalsContact CA-O 3.3Å; P75-V277 WeakPolarHBondContact CA-O 3.39Å; L76-V277 HydrophobicContact CB-CB 4.15Å; L76-V277 HydrophobicContact CD1-CB 4.37Å; L76-V277 HydrophobicContact CG-CB 4.36Å; L76-V277 PolarHBondContact N-O 2.9Å; L76-V277 PolarHBondContact O-N 2.6Å; F78-V277 HydrophobicContact CE2-CG2 4Å; V220-V277 CarbonylContact O-C 3.42Å; V220-V277 VanDerWaalsContact O-CA 3.26Å; V220-V277 WeakPolarHBondContact O-CA 2.96Å; W221-V277 HydrophobicContact CB-CG2 4.44Å
278	I	98.9	Very high	98.8	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.015	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.2	177.4	-53.7	176.5	0	0	0	107.7	S219 V220 F231 F276 W282	S219-I278 CarbonylContact C-O 3.53Å; S219-I278 VanDerWaalsContact CA-O 3.25Å; S219-I278 WeakPolarHBondContact CA-O 3.4Å; S219-I278 WeakPolarHBondContact CB-O 3.48Å; V220-I278 HydrophobicContact CB-CB 4.25Å; V220-I278 PolarHBondContact N-O 3.16Å; V220-I278 PolarHBondContact O-N 3.31Å; F231-I278 HydrophobicContact CD1-CD1 4.32Å; F231-I278 HydrophobicContact CE1-CD1 3.77Å; F276-I278 HydrophobicContact CD1-CD1 4.05Å; F276-I278 HydrophobicContact CD1-CG1 3.73Å; F276-I278 HydrophobicContact CE1-CD1 3.64Å; F276-I278 HydrophobicContact CE1-CG1 3.33Å; F276-I278 HydrophobicContact CZ-CG1 3.85Å; I278-W282 HydrophobicContact CG2-CB 3.72Å; I278-W282 HydrophobicContact CG2-CG 4.45Å
279	P	98.9	Very high	98.8	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.013	12%	0.117	C	C	.	.			trans	-73.3	156.2	175.8	-17	31.2	0	0	0	112.4	R73 D74 G281 W282	R73-P279 WeakPolarHBondContact O-CG 3.34Å; D74-P279 VanDerWaalsContact C-CG 3.4Å; D74-P279 VanDerWaalsContact O-CG 3.29Å; D74-P279 WeakPolarHBondContact O-CG 3.4Å; P279-G281 PolarHBondContact O-N 2.79Å; P279-W282 VanDerWaalsContact O-CD1 3.23Å; P279-W282 PolarHBondContact O-N 2.83Å
280	S	98.9	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.3	128.1	171.2	177.7	0	0	0	0	113.2	G217 S219 M307 Q308	G217-S280 WeakPolarHBondContact O-CA 3.35Å; G217-S280 WeakPolarHBondContact O-CB 3.5Å; G217-S280 PolarHBondContact O-OG 2.67Å; S219-S280 PolarHBondContact OG-N 3.4Å; S280-M307 WeakPolarHBondContact O-CG 3.44Å; S280-M307 WeakPolarHBondContact OG-CG 3.27Å; S280-Q308 PolarHBondContact OG-N 3.32Å
281	G	98.8	Very high	98.8	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.01	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-13.6	171.4	0	0	0	0	0	116.7	P236 P279 I283	P236-G281 WeakPolarHBondContact CB-O 3.41Å; P279-G281 PolarHBondContact O-N 2.79Å; G281-I283 PolarHBondContact O-N 3.25Å
282	W	98.9	Very high	98.8	Very high	14 Å²	14	19.3 Å²	19.3	5%	0.053	11%	0.105	C	C	.	.			trans	-62	120.2	-177.5	-81.8	75.7	0	0	0	112	F53 R73 P75 L233 P235 P236 I278 P279 H284	F53-W282 HydrophobicContact CB-CH2 3.54Å; F53-W282 HydrophobicContact CB-CZ3 3.89Å; F53-W282 HydrophobicContact CD1-CH2 4.05Å; F53-W282 HydrophobicContact CD2-CH2 4.01Å; F53-W282 AromaticContact CD2-CZ3 3.71Å; F53-W282 HydrophobicContact CD2-CZ3 3.71Å; F53-W282 HydrophobicContact CE2-CZ3 4.38Å; F53-W282 AromaticContact CG-CH2 3.61Å; F53-W282 HydrophobicContact CG-CH2 3.61Å; F53-W282 AromaticContact CG-CZ3 3.82Å; F53-W282 HydrophobicContact CG-CZ3 3.82Å; R73-W282 PolarHBondContact O-NE1 3.21Å; R73-W282 VanDerWaalsContact O-NE1 3.08Å; P75-W282 VanDerWaalsContact CD-CZ2 3.46Å; P75-W282 HydrophobicContact CG-CD2 3.73Å; P75-W282 HydrophobicContact CG-CE3 3.83Å; P75-W282 HydrophobicContact CG-CG 4.47Å; P75-W282 HydrophobicContact CG-CH2 3.86Å; P75-W282 HydrophobicContact CG-CZ2 3.72Å; P75-W282 HydrophobicContact CG-CZ3 3.9Å; L233-W282 HydrophobicContact CB-CE3 4.16Å; L233-W282 HydrophobicContact CB-CZ3 4.18Å; P235-W282 HydrophobicContact CB-CE3 4.48Å; P235-W282 HydrophobicContact CB-CH2 3.59Å; P235-W282 HydrophobicContact CB-CZ2 4.04Å; P235-W282 HydrophobicContact CB-CZ3 3.86Å; P236-W282 HydrophobicContact CG-CG 4.45Å; I278-W282 HydrophobicContact CG2-CB 3.72Å; I278-W282 HydrophobicContact CG2-CG 4.45Å; P279-W282 VanDerWaalsContact O-CD1 3.23Å; P279-W282 PolarHBondContact O-N 2.83Å; W282-H284 PolarHBondContact O-ND1 3.21Å; W282-H284 VanDerWaalsContact O-ND1 3.16Å
283	I	98.9	Very high	98.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.4	178.6	-53.6	147.6	0	0	0	107.3	F211 H212 V213 I234 N240 L241 Y244 L258 G281	F211-I283 HydrophobicContact CB-CG2 4.19Å; F211-I283 HydrophobicContact CD1-CG2 4.2Å; H212-I283 CarbonylContact O-C 3.53Å; H212-I283 WeakPolarHBondContact O-CA 3.34Å; V213-I283 HydrophobicContact CG2-CB 4.04Å; V213-I283 HydrophobicContact CG2-CG1 3.43Å; V213-I283 VanDerWaalsContact CG2-CG1 3.43Å; V213-I283 HydrophobicContact CG2-CG2 4.48Å; I234-I283 HydrophobicContact CB-CB 4.09Å; I234-I283 WeakPolarHBondContact CB-O 3.49Å; I234-I283 HydrophobicContact CG2-CB 4.4Å; I234-I283 HydrophobicContact CG2-CD1 4.06Å; I234-I283 PolarHBondContact N-O 2.99Å; I234-I283 PolarHBondContact O-N 2.93Å; I234-I283 VanDerWaalsContact O-N 3.13Å; N240-I283 HydrophobicContact CB-CD1 4.11Å; L241-I283 HydrophobicContact CD2-CD1 4.07Å; L241-I283 HydrophobicContact CD2-CG1 4.16Å; Y244-I283 HydrophobicContact CD1-CG1 4.39Å; Y244-I283 HydrophobicContact CD2-CG1 4.32Å; Y244-I283 HydrophobicContact CD2-CG2 3.76Å; Y244-I283 HydrophobicContact CE2-CG2 4.13Å; Y244-I283 HydrophobicContact CG-CD1 4.14Å; Y244-I283 HydrophobicContact CG-CG1 4.05Å; Y244-I283 HydrophobicContact CG-CG2 4.32Å; L258-I283 HydrophobicContact CD2-CG2 3.8Å; G281-I283 PolarHBondContact O-N 3.25Å
284	H	98.9	Very high	98.8	Very high	7 Å²	7	13 Å²	13	3%	0.032	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.5	-174.7	68.6	-77.4	0	0	0	113.9	F211 H212 D214 F231 W232 L233 W282	F211-H284 VanDerWaalsContact CA-O 3.32Å; F211-H284 WeakPolarHBondContact CA-O 3.22Å; H212-H284 AromaticContact CE1-CD2 3.99Å; H212-H284 AromaticContact CE1-NE2 3.62Å; H212-H284 PolarHBondContact N-O 2.85Å; H212-H284 PolarHBondContact ND1-O 2.92Å; H212-H284 VanDerWaalsContact ND1-O 3.15Å; H212-H284 AromaticContact NE2-CE1 3.76Å; H212-H284 AromaticContact NE2-NE2 3.51Å; H212-H284 PolarHBondContact O-N 3.05Å; D214-H284 IonicContact OD2-CE1 2.7Å; D214-H284 PolarHBondContact OD2-CE1 3.41Å; D214-H284 VanDerWaalsContact OD2-CE1 3.26Å; F231-H284 AromaticContact CD1-CD2 3.86Å; F231-H284 AromaticContact CE1-CD2 3.74Å; W232-H284 WeakPolarHBondContact O-CA 3.36Å; W232-H284 VanDerWaalsContact O-CB 3.26Å; W232-H284 WeakPolarHBondContact O-CB 3.4Å; L233-H284 HydrophobicContact CD2-CB 3.96Å; W282-H284 PolarHBondContact O-ND1 3.21Å; W282-H284 VanDerWaalsContact O-ND1 3.16Å
285	A	98.8	Very high	98.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.4	171.8	0	0	0	0	0	109.5	Y208 T209 F211 F231 W232	Y208-A285 HydrophobicContact CE2-CB 4.06Å; T209-A285 WeakPolarHBondContact O-CA 3.36Å; F211-A285 HydrophobicContact CB-CB 4.5Å; F211-A285 HydrophobicContact CD1-CB 3.7Å; F211-A285 HydrophobicContact CD2-CB 3.84Å; F211-A285 HydrophobicContact CE1-CB 3.73Å; F211-A285 HydrophobicContact CE2-CB 3.89Å; F211-A285 HydrophobicContact CG-CB 3.76Å; F211-A285 HydrophobicContact CZ-CB 3.83Å; F231-A285 WeakPolarHBondContact CA-O 3.41Å; W232-A285 HydrophobicContact CE3-CB 4.17Å; W232-A285 PolarHBondContact N-O 2.95Å; W232-A285 PolarHBondContact O-N 3.48Å; W232-A285 VanDerWaalsContact O-N 3.15Å
286	V	98.8	Very high	98.8	Very high	11 Å²	11	11 Å²	11	7%	0.067	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	128.4	-171.5	-167.8	0	0	0	0	111.5	Y208 T209 K229 V230 F231	Y208-V286 CarbonylContact C-O 3.57Å; Y208-V286 VanDerWaalsContact CA-O 3.32Å; Y208-V286 WeakPolarHBondContact CA-O 3.5Å; T209-V286 PolarHBondContact N-O 3.12Å; T209-V286 PolarHBondContact O-N 3.43Å; K229-V286 HydrophobicContact CB-CG1 4.33Å; K229-V286 HydrophobicContact CD-CG1 3.93Å; K229-V286 HydrophobicContact CG-CG1 4.42Å; V230-V286 CarbonylContact O-C 3.54Å; V230-V286 WeakPolarHBondContact O-CA 3.29Å; F231-V286 HydrophobicContact CD1-CG2 3.72Å; F231-V286 HydrophobicContact CD2-CG1 4.17Å; F231-V286 HydrophobicContact CE1-CG1 4.36Å; F231-V286 HydrophobicContact CE1-CG2 3.43Å; F231-V286 VanDerWaalsContact CE1-CG2 3.43Å; F231-V286 HydrophobicContact CE2-CG1 3.81Å; F231-V286 HydrophobicContact CE2-CG2 4.38Å; F231-V286 HydrophobicContact CG-CG2 4.33Å; F231-V286 HydrophobicContact CZ-CG1 3.92Å; F231-V286 HydrophobicContact CZ-CG2 3.8Å
287	Y	98.8	Very high	98.8	Very high	30 Å²	30	11.1 Å²	11.1	12%	0.118	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	152.6	170.9	175.5	-104.5	0	0	0	112.1	L40 L44 C207 V230 P289	L40-Y287 HydrophobicContact CD2-CD2 3.86Å; L40-Y287 HydrophobicContact CD2-CE2 4.19Å; L44-Y287 HydrophobicContact CD1-CD1 3.72Å; L44-Y287 HydrophobicContact CD1-CD2 4.27Å; L44-Y287 HydrophobicContact CD1-CE1 3.53Å; L44-Y287 HydrophobicContact CD1-CE2 4.13Å; L44-Y287 HydrophobicContact CD1-CG 4.06Å; L44-Y287 HydrophobicContact CD2-CD1 3.47Å; L44-Y287 VanDerWaalsContact CD2-CD1 3.47Å; L44-Y287 HydrophobicContact CD2-CE1 4.03Å; L44-Y287 HydrophobicContact CD2-CG 3.94Å; L44-Y287 HydrophobicContact CG-CD1 4.24Å; L44-Y287 HydrophobicContact CG-CE1 4.46Å; C207-Y287 CarbonylContact O-C 3.43Å; C207-Y287 WeakPolarHBondContact O-CA 3.29Å; V230-Y287 HydrophobicContact CB-CD1 4.45Å; V230-Y287 HydrophobicContact CG2-CD1 4.45Å; V230-Y287 PolarHBondContact N-O 3.14Å; V230-Y287 PolarHBondContact O-N 3.06Å; Y287-P289 HydrophobicContact CD1-CB 4.39Å; Y287-P289 HydrophobicContact CE1-CB 3.95Å; Y287-P289 WeakPolarHBondContact O-CD 3.48Å
288	T	98.8	Very high	98.8	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.006	7%	0.065	C	C	.	.			trans	-118.2	94.6	-175.1	-48.6	0	0	0	0	110.1	V204 R205 G206 C207 K229 T290	V204-T288 WeakPolarHBondContact O-CB 3.45Å; V204-T288 WeakPolarHBondContact O-CG2 3.38Å; R205-T288 WeakPolarHBondContact CA-O 3.26Å; G206-T288 PolarHBondContact N-O 3.4Å; C207-T288 WeakPolarHBondContact O-CB 3.49Å; C207-T288 PolarHBondContact O-N 3.02Å; C207-T288 PolarHBondContact O-OG1 2.89Å; K229-T288 HydrophobicContact CD-CG2 4.4Å; K229-T288 PolarHBondContact NZ-OG1 3.13Å; T288-T290 VanDerWaalsContact C-N 3.31Å; T288-T290 WeakPolarHBondContact CG2-O 3.46Å; T288-T290 PolarHBondContact O-N 3.03Å
289	P	98.4	Very high	98.8	Very high	45 Å²	45	11.5 Å²	11.5	29%	0.292	7%	0.065	S	C	.	.	S	Bend	trans	-71.8	-20.1	-176.8	27.9	-36.5	0	0	0	114.8	R205 G228 V230 Y287	R205-P289 VanDerWaalsContact CD-O 3.24Å; R205-P289 WeakPolarHBondContact CD-O 3.41Å; R205-P289 WeakPolarHBondContact CG-O 3.21Å; R205-P289 PolarHBondContact NE-O 2.99Å; G228-P289 WeakPolarHBondContact O-CD 3.34Å; V230-P289 HydrophobicContact CG2-CG 4.35Å; Y287-P289 HydrophobicContact CD1-CB 4.39Å; Y287-P289 HydrophobicContact CE1-CB 3.95Å; Y287-P289 WeakPolarHBondContact O-CD 3.48Å
290	T	98.5	Very high	98.8	Very high	65 Å²	65	11.4 Å²	11.4	40%	0.399	6%	0.064	S	C	.	.	S	Bend	trans	-148.4	154.8	178	-177.8	0	0	0	0	109	T288 T292	T288-T290 VanDerWaalsContact C-N 3.31Å; T288-T290 WeakPolarHBondContact CG2-O 3.46Å; T288-T290 PolarHBondContact O-N 3.03Å; T290-T292 WeakPolarHBondContact O-CB 3.47Å; T290-T292 PolarHBondContact O-N 3.47Å; T290-T292 PolarHBondContact O-OG1 3.31Å
291	D	98.8	Very high	98.8	Very high	48 Å²	48	11.4 Å²	11.4	26%	0.257	6%	0.064	S	C	.	.			trans	-47.8	127.9	169.4	-75	12.7	0	0	0	109.8	Y130 R137 S203 V204 R205	Y130-D291 HydrophobicContact CE1-CB 4.49Å; R137-D291 IonicContact CZ-OD1 2.66Å; R137-D291 IonicContact CZ-OD2 3.72Å; R137-D291 IonicContact NH1-OD1 2.73Å; R137-D291 PolarHBondContact NH1-OD1 2.63Å; R137-D291 IonicContact NH1-OD2 3.55Å; R137-D291 PolarHBondContact NH1-OD2 3.45Å; R137-D291 IonicContact NH2-OD1 2.63Å; R137-D291 IonicContact NH2-OD2 2.71Å; R137-D291 PolarHBondContact NH2-OD2 2.9Å; S203-D291 WeakPolarHBondContact O-CA 3.48Å; V204-D291 VanDerWaalsContact CA-OD1 3.24Å; V204-D291 WeakPolarHBondContact CA-OD1 3.42Å; V204-D291 WeakPolarHBondContact CB-OD1 3.36Å; R205-D291 PolarHBondContact N-OD1 3.21Å
292	T	98.8	Very high	98.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	132	-161.1	-73.1	0	0	0	0	111.7	Y130 S203 Q226 G228 K229 T290 V294	Y130-T292 PolarHBondContact OH-N 3.17Å; Y130-T292 VanDerWaalsContact OH-N 3.09Å; S203-T292 PolarHBondContact N-O 3.03Å; S203-T292 PolarHBondContact O-N 3.34Å; Q226-T292 WeakPolarHBondContact O-CA 3.44Å; Q226-T292 WeakPolarHBondContact O-CG2 3.28Å; G228-T292 PolarHBondContact N-OG1 3.45Å; G228-T292 PolarHBondContact O-OG1 3.27Å; K229-T292 HydrophobicContact CD-CG2 4.16Å; K229-T292 HydrophobicContact CG-CG2 4.16Å; T290-T292 WeakPolarHBondContact O-CB 3.47Å; T290-T292 PolarHBondContact O-N 3.47Å; T290-T292 PolarHBondContact O-OG1 3.31Å; T292-V294 HydrophobicContact CG2-CG2 3.75Å
293	L	98.9	Very high	98.8	Very high	3 Å²	3	11.5 Å²	11.5	2%	0.016	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.9	174.4	-176.1	65.9	0	0	0	109.9	F93 V98 M202 H225 Q226 F295	F93-L293 HydrophobicContact CD1-CD2 4.28Å; F93-L293 WeakPolarHBondContact O-CD2 3.08Å; V98-L293 HydrophobicContact CG2-CD1 4.17Å; M202-L293 HydrophobicContact CG-CD1 3.56Å; H225-L293 WeakPolarHBondContact CB-O 3.34Å; H225-L293 PolarHBondContact N-O 3.06Å; Q226-L293 HydrophobicContact CB-CB 4.34Å; Q226-L293 PolarHBondContact N-O 2.9Å; Q226-L293 VanDerWaalsContact N-O 3.16Å; Q226-L293 PolarHBondContact O-N 3.19Å; Q226-L293 VanDerWaalsContact O-N 3.1Å; L293-F295 HydrophobicContact CD2-CE2 4.3Å; L293-F295 HydrophobicContact CD2-CZ 4.26Å; L293-F295 HydrophobicContact CG-CE2 4.45Å; L293-F295 HydrophobicContact CG-CZ 4.45Å
294	V	98.9	Very high	98.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.9	-176.2	175.3	0	0	0	0	110.2	C200 L201 Y222 H223 I224 T292	C200-V294 WeakPolarHBondContact CA-O 3.44Å; L201-V294 HydrophobicContact CB-CB 4.15Å; L201-V294 HydrophobicContact CD1-CB 4.34Å; L201-V294 HydrophobicContact CD1-CG1 4.01Å; L201-V294 PolarHBondContact N-O 2.79Å; L201-V294 PolarHBondContact O-N 2.73Å; Y222-V294 HydrophobicContact CD1-CG1 3.52Å; Y222-V294 HydrophobicContact CD1-CG2 4.44Å; Y222-V294 HydrophobicContact CD2-CG1 4.07Å; Y222-V294 HydrophobicContact CE1-CB 4.1Å; Y222-V294 HydrophobicContact CE1-CG1 3.36Å; Y222-V294 HydrophobicContact CE1-CG2 3.63Å; Y222-V294 HydrophobicContact CE2-CG1 3.94Å; Y222-V294 HydrophobicContact CG-CG1 3.88Å; H223-V294 WeakPolarHBondContact O-CA 3.46Å; H223-V294 WeakPolarHBondContact O-CG1 3.35Å; I224-V294 HydrophobicContact CD1-CG2 3.9Å; T292-V294 HydrophobicContact CG2-CG2 3.75Å
295	F	98.9	Very high	98.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.3	162.5	-62.7	-67.7	0	0	0	110	M88 P89 F93 F148 L153 V157 C200 W221 H223 H225 L293	M88-F295 HydrophobicContact CE-CB 4.18Å; M88-F295 HydrophobicContact SD-CB 3.83Å; M88-F295 HydrophobicContact SD-CD2 3.72Å; M88-F295 HydrophobicContact SD-CG 4.11Å; P89-F295 HydrophobicContact CG-CD2 4.41Å; P89-F295 HydrophobicContact CG-CE2 3.65Å; P89-F295 HydrophobicContact CG-CZ 3.87Å; F93-F295 HydrophobicContact CD1-CZ 4.24Å; F93-F295 HydrophobicContact CE1-CZ 4.18Å; F148-F295 AromaticContact CE1-CD1 3.75Å; F148-F295 HydrophobicContact CE1-CD1 3.75Å; F148-F295 HydrophobicContact CE1-CE1 4.28Å; F148-F295 AromaticContact CZ-CD1 3.91Å; F148-F295 HydrophobicContact CZ-CD1 3.91Å; F148-F295 HydrophobicContact CZ-CE1 4.46Å; L153-F295 HydrophobicContact CD1-CE1 4.5Å; L153-F295 HydrophobicContact CD2-CE1 4.08Å; L153-F295 HydrophobicContact CG-CE1 4.45Å; V157-F295 HydrophobicContact CG1-CB 3.88Å; V157-F295 HydrophobicContact CG1-CG 4.22Å; V157-F295 HydrophobicContact CG2-CB 4.47Å; V157-F295 HydrophobicContact CG2-CD1 3.78Å; V157-F295 HydrophobicContact CG2-CD2 4.29Å; V157-F295 HydrophobicContact CG2-CE1 4.07Å; V157-F295 HydrophobicContact CG2-CG 3.9Å; V157-F295 HydrophobicContact CG2-CZ 4.46Å; C200-F295 HydrophobicContact CB-CD1 4.17Å; C200-F295 HydrophobicContact CB-CE1 3.99Å; W221-F295 HydrophobicContact CH2-CB 4.49Å; H223-F295 WeakPolarHBondContact CA-O 3.31Å; H223-F295 WeakPolarHBondContact CB-O 3.32Å; H223-F295 PolarHBondContact N-O 2.96Å; H223-F295 PolarHBondContact O-N 2.77Å; H223-F295 VanDerWaalsContact O-N 3.13Å; H225-F295 HydrophobicContact CB-CD2 3.99Å; H225-F295 HydrophobicContact CB-CE2 4.1Å; H225-F295 AromaticContact CG-CE2 3.96Å; L293-F295 HydrophobicContact CD2-CE2 4.3Å; L293-F295 HydrophobicContact CD2-CZ 4.26Å; L293-F295 HydrophobicContact CG-CE2 4.45Å; L293-F295 HydrophobicContact CG-CZ 4.45Å
296	G	98.6	Very high	98.8	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.01	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	-168.1	-178.9	0	0	0	0	0	112.1	Y199 W221	Y199-G296 PolarHBondContact N-O 2.79Å; Y199-G296 PolarHBondContact O-N 3.37Å; W221-G296 VanDerWaalsContact CE2-C 3.41Å; W221-G296 WeakPolarHBondContact CZ2-O 3.45Å; W221-G296 CarbonylContact O-C 3.6Å; W221-G296 WeakPolarHBondContact O-CA 3.43Å
297	G	98.6	Very high	98.8	Very high	2 Å²	2	14 Å²	14	2%	0.021	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	153.8	-178.7	0	0	0	0	0	113.4	Q197 V220 W221	Q197-G297 VanDerWaalsContact O-CA 3.28Å; Q197-G297 WeakPolarHBondContact O-CA 3.42Å; V220-G297 WeakPolarHBondContact CA-O 3.28Å; W221-G297 VanDerWaalsContact CD1-O 3.26Å; W221-G297 PolarHBondContact N-O 3.49Å; W221-G297 VanDerWaalsContact NE1-CA 3.28Å; W221-G297 PolarHBondContact O-N 2.83Å
298	N	98.9	Very high	98.8	Very high	12 Å²	12	12.5 Å²	12.5	6%	0.064	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	145.3	175.9	-80.6	-91.8	0	0	0	109.9	V196 Y199 F215 T218 V220	V196-N298 HydrophobicContact CB-CB 4.43Å; V196-N298 HydrophobicContact CG2-CB 4.41Å; V196-N298 PolarHBondContact O-N 3.01Å; V196-N298 VanDerWaalsContact O-N 3.14Å; Y199-N298 HydrophobicContact CE2-CB 4.39Å; F215-N298 HydrophobicContact CE2-CB 4.29Å; F215-N298 HydrophobicContact CZ-CB 3.8Å; T218-N298 WeakPolarHBondContact CB-OD1 3.24Å; T218-N298 HydrophobicContact CG2-CB 4Å; T218-N298 PolarHBondContact OG1-OD1 3.35Å; V220-N298 VanDerWaalsContact CG2-OD1 3.29Å; V220-N298 WeakPolarHBondContact CG2-OD1 3.47Å
299	F	98.9	Very high	98.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	148.5	174.4	61.9	-81.3	0	0	0	111.6	L72 V163 I166 D167 S219 W221 H301	L72-F299 HydrophobicContact CD2-CE2 4.03Å; L72-F299 HydrophobicContact CD2-CZ 3.99Å; V163-F299 HydrophobicContact CG1-CB 4.15Å; V163-F299 HydrophobicContact CG1-CD1 3.57Å; V163-F299 HydrophobicContact CG1-CD2 4Å; V163-F299 HydrophobicContact CG1-CE1 3.86Å; V163-F299 HydrophobicContact CG1-CE2 4.26Å; V163-F299 HydrophobicContact CG1-CG 3.64Å; V163-F299 HydrophobicContact CG1-CZ 4.19Å; V163-F299 HydrophobicContact CG2-CE1 4.11Å; V163-F299 HydrophobicContact CG2-CZ 4.17Å; I166-F299 HydrophobicContact CD1-CE2 3.93Å; I166-F299 HydrophobicContact CG1-CD2 4.46Å; I166-F299 HydrophobicContact CG1-CE2 4.29Å; D167-F299 HydrophobicContact CB-CB 3.97Å; S219-F299 VanDerWaalsContact CB-CZ 3.5Å; S219-F299 PolarHBondContact N-O 3.08Å; S219-F299 VanDerWaalsContact O-CD1 3.25Å; S219-F299 WeakPolarHBondContact O-CD1 3.37Å; S219-F299 PolarHBondContact O-N 3.05Å; W221-F299 HydrophobicContact CB-CE1 4.42Å; F299-H301 HydrophobicContact CD2-CB 4.45Å
300	L	98.9	Very high	98.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.			trans	-102.5	151.1	166.9	-64.1	170.6	0	0	0	108.5	D167 W168 T218 Q308 Y326 Y329	D167-L300 WeakPolarHBondContact CA-O 3.36Å; W168-L300 HydrophobicContact CB-CB 4.12Å; W168-L300 HydrophobicContact CD2-CB 3.6Å; W168-L300 HydrophobicContact CE3-CB 3.39Å; W168-L300 HydrophobicContact CE3-CD1 3.62Å; W168-L300 HydrophobicContact CE3-CG 4.12Å; W168-L300 HydrophobicContact CG-CB 3.91Å; W168-L300 HydrophobicContact CZ3-CB 4.11Å; W168-L300 HydrophobicContact CZ3-CD1 3.95Å; W168-L300 PolarHBondContact N-O 3.15Å; T218-L300 HydrophobicContact CG2-CD2 3.75Å; T218-L300 HydrophobicContact CG2-CG 3.92Å; L300-Q308 HydrophobicContact CD2-CB 4.21Å; L300-Q308 VanDerWaalsContact CD2-CD 3.48Å; L300-Q308 HydrophobicContact CD2-CG 3.8Å; L300-Y326 HydrophobicContact CD1-CD1 4.19Å; L300-Y326 HydrophobicContact CD1-CD2 3.92Å; L300-Y326 HydrophobicContact CD1-CE1 3.83Å; L300-Y326 HydrophobicContact CD1-CE2 3.53Å; L300-Y326 HydrophobicContact CD1-CG 4.24Å; L300-Y326 VanDerWaalsContact CD1-CZ 3.49Å; L300-Y326 HydrophobicContact CG-CD2 4.28Å; L300-Y326 HydrophobicContact CG-CE2 3.77Å; L300-Y329 HydrophobicContact CD1-CD2 3.99Å; L300-Y329 HydrophobicContact CD1-CE2 3.79Å; L300-Y329 HydrophobicContact CD2-CE2 4.29Å
301	H	98.9	Very high	98.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.			trans	-149	154.2	-178.4	65.4	107	0	0	0	112.4	G71 I166 W168 S219 F299 F303 Q308	G71-H301 PolarHBondContact O-CE1 2.88Å; I166-H301 HydrophobicContact CB-CB 4.2Å; I166-H301 HydrophobicContact CD1-CB 4.21Å; I166-H301 HydrophobicContact CG1-CB 4.12Å; I166-H301 WeakPolarHBondContact O-CB 3.33Å; W168-H301 VanDerWaalsContact NE1-C 3.32Å; S219-H301 PolarHBondContact OG-CD2 3.44Å; S219-H301 PolarHBondContact OG-NE2 3.22Å; F299-H301 HydrophobicContact CD2-CB 4.45Å; H301-F303 AromaticContact ND1-CD2 3.99Å; H301-F303 PolarHBondContact O-N 2.89Å; H301-Q308 PolarHBondContact O-OE1 3.23Å
302	S	98.8	Very high	98.8	Very high	4 Å²	4	10.8 Å²	10.8	3%	0.028	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-1.8	-170.4	-46.9	0	0	0	0	115.4	W168 Y340	W168-S302 VanDerWaalsContact NE1-N 3.19Å; W168-S302 PolarHBondContact NE1-OG 2.92Å; S302-Y340 WeakPolarHBondContact CB-OH 3.37Å; S302-Y340 PolarHBondContact OG-OH 3.26Å
303	F	98.8	Very high	98.8	Very high	13 Å²	13	12 Å²	12	6%	0.057	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-3.7	-173.9	-55.5	-88	0	0	0	113.8	I67 Q68 R73 I166 H301 T454 F456 E457	I67-F303 HydrophobicContact CG2-CB 4.2Å; I67-F303 HydrophobicContact CG2-CD1 4.38Å; I67-F303 HydrophobicContact CG2-CD2 3.4Å; I67-F303 HydrophobicContact CG2-CE2 3.79Å; I67-F303 HydrophobicContact CG2-CG 3.73Å; I67-F303 HydrophobicContact CG2-CZ 4.43Å; Q68-F303 HydrophobicContact CB-CE1 4.46Å; Q68-F303 HydrophobicContact CG-CE1 3.8Å; Q68-F303 HydrophobicContact CG-CZ 3.95Å; R73-F303 VanDerWaalsContact CZ-O 3.28Å; R73-F303 PolarHBondContact NH1-O 3.38Å; R73-F303 PolarHBondContact NH2-O 3.46Å; I166-F303 HydrophobicContact CG2-CE2 4.18Å; H301-F303 AromaticContact ND1-CD2 3.99Å; H301-F303 PolarHBondContact O-N 2.89Å; F303-T454 HydrophobicContact CE1-CG2 4.19Å; F303-F456 HydrophobicContact CB-CB 4.36Å; F303-F456 HydrophobicContact CD1-CB 4.42Å; F303-E457 HydrophobicContact CD1-CG 3.92Å; F303-E457 HydrophobicContact CE1-CG 3.8Å; F303-E457 WeakPolarHBondContact CE1-OE2 3.12Å; F303-E457 HydrophobicContact CZ-CG 4.45Å
304	N	98.8	Very high	98.8	Very high	7 Å²	7	12.1 Å²	12.1	4%	0.037	6%	0.063	C	C	.	.	S	Bend	trans	-138.3	30.8	173.7	-153.1	0.6	0	0	0	114.1	R73 P306 M307 Q308	R73-N304 VanDerWaalsContact NH1-CB 3.27Å; R73-N304 PolarHBondContact NH1-ND2 3Å; R73-N304 PolarHBondContact NH1-OD1 2.71Å; R73-N304 PolarHBondContact NH2-OD1 3.49Å; N304-P306 VanDerWaalsContact C-CD 3.41Å; N304-P306 VanDerWaalsContact C-N 3.34Å; N304-M307 PolarHBondContact O-N 3.19Å; N304-M307 WeakPolarHBondContact OD1-CB 3.34Å; N304-Q308 PolarHBondContact O-N 2.61Å; N304-Q308 VanDerWaalsContact O-N 3.13Å
305	I	98.9	Very high	98.8	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-53.8	-40.7	-176	-46.2	178.3	0	0	0	113.7	W168 M307 Q308 L309 L464	W168-I305 HydrophobicContact CH2-CD1 4.31Å; W168-I305 HydrophobicContact CH2-CG1 4.16Å; W168-I305 HydrophobicContact CH2-CG2 4.08Å; W168-I305 HydrophobicContact CZ2-CD1 3.73Å; W168-I305 HydrophobicContact CZ2-CG1 3.71Å; W168-I305 HydrophobicContact CZ2-CG2 4.48Å; I305-M307 VanDerWaalsContact C-N 3.25Å; I305-M307 PolarHBondContact O-N 3.02Å; I305-Q308 PolarHBondContact O-N 3.4Å; I305-L309 HydrophobicContact CG2-CD1 4.11Å; I305-L309 HydrophobicContact CG2-CG 4.06Å; I305-L309 WeakPolarHBondContact O-CG 3.46Å; I305-L309 PolarHBondContact O-N 2.98Å; I305-L464 HydrophobicContact CD1-CD1 4.06Å; I305-L464 HydrophobicContact CD1-CG 4.3Å; I305-L464 HydrophobicContact CG2-CD1 4.45Å; I305-L464 HydrophobicContact CG2-CD2 3.5Å; I305-L464 HydrophobicContact CG2-CG 3.74Å
306	P	98.8	Very high	98.7	Very high	32 Å²	32	16.1 Å²	16.1	21%	0.208	8%	0.084	C	C	.	.	H	α-helix	trans	-59.1	-34.9	177.7	-24.5	35.5	0	0	0	113.1	N304 K310 E459 C463	N304-P306 VanDerWaalsContact C-CD 3.41Å; N304-P306 VanDerWaalsContact C-N 3.34Å; P306-K310 VanDerWaalsContact O-CB 3.29Å; P306-K310 WeakPolarHBondContact O-CB 3.34Å; P306-K310 PolarHBondContact O-N 3.49Å; P306-K310 VanDerWaalsContact O-N 3.1Å; P306-E459 HydrophobicContact CG-CG 3.96Å; P306-C463 HydrophobicContact CG-CB 4.41Å
307	M	98.9	Very high	98.7	Very high	29 Å²	29	21.7 Å²	21.7	14%	0.143	11%	0.105	C	C	.	.	H	α-helix	trans	-73.8	-44.7	175.2	-171.1	58.8	68.2	0	0	111.8	P236 L241 S280 N304 I305 L309 K310 I311	P236-M307 HydrophobicContact CB-CE 3.75Å; P236-M307 HydrophobicContact CB-SD 3.99Å; P236-M307 HydrophobicContact CG-CE 4.04Å; L241-M307 HydrophobicContact CD1-CE 4.28Å; L241-M307 HydrophobicContact CD1-SD 3.8Å; S280-M307 WeakPolarHBondContact O-CG 3.44Å; S280-M307 WeakPolarHBondContact OG-CG 3.27Å; N304-M307 PolarHBondContact O-N 3.19Å; N304-M307 WeakPolarHBondContact OD1-CB 3.34Å; I305-M307 VanDerWaalsContact C-N 3.25Å; I305-M307 PolarHBondContact O-N 3.02Å; M307-L309 VanDerWaalsContact C-N 3.31Å; M307-L309 PolarHBondContact O-N 3.49Å; M307-K310 WeakPolarHBondContact O-CA 3.44Å; M307-K310 WeakPolarHBondContact O-CB 3.48Å; M307-K310 PolarHBondContact O-N 2.69Å; M307-K310 HydrophobicContact SD-CB 4.45Å; M307-K310 HydrophobicContact SD-CD 4.15Å; M307-I311 HydrophobicContact CG-CG1 4.47Å; M307-I311 WeakPolarHBondContact O-CG1 3.49Å; M307-I311 PolarHBondContact O-N 2.96Å; M307-I311 HydrophobicContact SD-CD1 4.21Å; M307-I311 HydrophobicContact SD-CG1 4.46Å
308	Q	98.9	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-52.5	-51.3	176.1	-62.6	176.2	168.1	0	0	110.5	W168 S280 L300 H301 N304 I305 K310 I311 Y312 Y329	W168-Q308 VanDerWaalsContact CH2-NE2 3.29Å; S280-Q308 PolarHBondContact OG-N 3.32Å; L300-Q308 HydrophobicContact CD2-CB 4.21Å; L300-Q308 VanDerWaalsContact CD2-CD 3.48Å; L300-Q308 HydrophobicContact CD2-CG 3.8Å; H301-Q308 PolarHBondContact O-OE1 3.23Å; N304-Q308 PolarHBondContact O-N 2.61Å; N304-Q308 VanDerWaalsContact O-N 3.13Å; I305-Q308 PolarHBondContact O-N 3.4Å; Q308-K310 VanDerWaalsContact C-N 3.32Å; Q308-K310 PolarHBondContact O-N 3.23Å; Q308-I311 PolarHBondContact O-N 3.11Å; Q308-Y312 PolarHBondContact O-N 2.86Å; Q308-Y329 WeakPolarHBondContact CB-OH 3.34Å; Q308-Y329 PolarHBondContact O-OH 3.26Å
309	L	98.8	Very high	98.5	Very high	17 Å²	17	32.7 Å²	32.7	9%	0.089	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-36.7	177.2	-66.4	-179.8	0	0	0	112.8	I305 M307 Y312 S313 Y329 C463 L464 K467	I305-L309 HydrophobicContact CG2-CD1 4.11Å; I305-L309 HydrophobicContact CG2-CG 4.06Å; I305-L309 WeakPolarHBondContact O-CG 3.46Å; I305-L309 PolarHBondContact O-N 2.98Å; M307-L309 VanDerWaalsContact C-N 3.31Å; M307-L309 PolarHBondContact O-N 3.49Å; L309-Y312 PolarHBondContact O-N 2.93Å; L309-S313 WeakPolarHBondContact O-CB 3.26Å; L309-S313 PolarHBondContact O-N 2.8Å; L309-Y329 HydrophobicContact CD2-CE1 3.94Å; L309-Y329 PolarHBondContact N-OH 3.29Å; L309-C463 HydrophobicContact CD1-CB 3.87Å; L309-C463 WeakPolarHBondContact CD1-O 3.15Å; L309-L464 HydrophobicContact CD1-CD2 4.25Å; L309-L464 HydrophobicContact CD2-CD2 4.22Å; L309-K467 HydrophobicContact CD1-CB 4.02Å; L309-K467 HydrophobicContact CD1-CG 4.34Å; L309-K467 HydrophobicContact CD2-CG 4.14Å
310	K	98.8	Very high	98.4	Very high	73 Å²	73	34.5 Å²	34.5	32%	0.317	16%	0.159	S	C	.	.	H	α-helix	trans	-62.9	-45.8	176.9	-173.6	178.5	-178.8	-174.8	0	111.1	L241 P306 M307 Q308 S313 I314	L241-K310 HydrophobicContact CD1-CD 3.9Å; P306-K310 VanDerWaalsContact O-CB 3.29Å; P306-K310 WeakPolarHBondContact O-CB 3.34Å; P306-K310 PolarHBondContact O-N 3.49Å; P306-K310 VanDerWaalsContact O-N 3.1Å; M307-K310 WeakPolarHBondContact O-CA 3.44Å; M307-K310 WeakPolarHBondContact O-CB 3.48Å; M307-K310 PolarHBondContact O-N 2.69Å; M307-K310 HydrophobicContact SD-CB 4.45Å; M307-K310 HydrophobicContact SD-CD 4.15Å; Q308-K310 VanDerWaalsContact C-N 3.32Å; Q308-K310 PolarHBondContact O-N 3.23Å; K310-S313 WeakPolarHBondContact O-CB 3.46Å; K310-S313 PolarHBondContact O-N 3.21Å; K310-S313 PolarHBondContact O-OG 3.02Å; K310-I314 PolarHBondContact O-N 2.84Å; K310-I314 VanDerWaalsContact O-N 3.11Å
311	I	98.9	Very high	98.2	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-45.5	176.7	-57.5	-49.1	0	0	0	111.2	V213 L241 M307 Q308 S313 I314 E315	V213-I311 HydrophobicContact CB-CG2 4.4Å; V213-I311 HydrophobicContact CG1-CD1 3.92Å; V213-I311 HydrophobicContact CG1-CG1 3.92Å; V213-I311 HydrophobicContact CG1-CG2 3.76Å; L241-I311 HydrophobicContact CD1-CD1 4.38Å; L241-I311 HydrophobicContact CD2-CD1 3.67Å; M307-I311 HydrophobicContact CG-CG1 4.47Å; M307-I311 WeakPolarHBondContact O-CG1 3.49Å; M307-I311 PolarHBondContact O-N 2.96Å; M307-I311 HydrophobicContact SD-CD1 4.21Å; M307-I311 HydrophobicContact SD-CG1 4.46Å; Q308-I311 PolarHBondContact O-N 3.11Å; I311-S313 PolarHBondContact O-N 2.84Å; I311-S313 VanDerWaalsContact O-N 3.17Å; I311-I314 HydrophobicContact CD1-CD1 4.01Å; I311-I314 WeakPolarHBondContact O-CA 3.38Å; I311-I314 WeakPolarHBondContact O-CB 3.45Å; I311-I314 PolarHBondContact O-N 2.66Å; I311-E315 PolarHBondContact O-N 2.68Å
312	Y	98.6	Very high	97.9	Very high	28 Å²	28	44.9 Å²	44.9	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-55.8	-35.8	174.6	-167.3	-79.6	0	0	0	112	Q308 L309 E315 D316 R325 Y329 Y330	Q308-Y312 PolarHBondContact O-N 2.86Å; L309-Y312 PolarHBondContact O-N 2.93Å; Y312-E315 WeakPolarHBondContact O-CB 3.5Å; Y312-E315 PolarHBondContact O-N 2.99Å; Y312-D316 PolarHBondContact O-N 3.34Å; Y312-D316 VanDerWaalsContact O-N 3.09Å; Y312-R325 PolarHBondContact O-NH2 3.46Å; Y312-Y329 HydrophobicContact CD1-CD1 4.43Å; Y312-Y329 HydrophobicContact CD1-CE1 4.4Å; Y312-Y329 AromaticContact CD2-CD1 3.3Å; Y312-Y329 HydrophobicContact CD2-CD1 3.3Å; Y312-Y329 AromaticContact CD2-CD2 3.77Å; Y312-Y329 HydrophobicContact CD2-CD2 3.77Å; Y312-Y329 AromaticContact CD2-CE1 3.5Å; Y312-Y329 HydrophobicContact CD2-CE1 3.5Å; Y312-Y329 VanDerWaalsContact CD2-CE1 3.5Å; Y312-Y329 AromaticContact CD2-CE2 3.93Å; Y312-Y329 HydrophobicContact CD2-CE2 3.93Å; Y312-Y329 AromaticContact CD2-CG 3.43Å; Y312-Y329 HydrophobicContact CD2-CG 3.43Å; Y312-Y329 VanDerWaalsContact CD2-CG 3.43Å; Y312-Y329 AromaticContact CD2-CZ 3.78Å; Y312-Y329 AromaticContact CE2-CD1 3.45Å; Y312-Y329 HydrophobicContact CE2-CD1 3.45Å; Y312-Y329 VanDerWaalsContact CE2-CD1 3.45Å; Y312-Y329 HydrophobicContact CE2-CD2 4.1Å; Y312-Y329 HydrophobicContact CE2-CE1 4.13Å; Y312-Y329 AromaticContact CE2-CG 3.42Å; Y312-Y329 HydrophobicContact CE2-CG 3.42Å; Y312-Y329 VanDerWaalsContact CE2-CG 3.42Å; Y312-Y329 AromaticContact CG-CD1 3.83Å; Y312-Y329 HydrophobicContact CG-CD1 3.83Å; Y312-Y329 AromaticContact CG-CE1 3.64Å; Y312-Y329 HydrophobicContact CG-CE1 3.64Å; Y312-Y329 HydrophobicContact CG-CG 4.38Å; Y312-Y330 HydrophobicContact CD1-CE2 4.23Å; Y312-Y330 AromaticContact CD1-CZ 3.79Å; Y312-Y330 VanDerWaalsContact CD1-OH 3.24Å; Y312-Y330 WeakPolarHBondContact CD1-OH 3.3Å; Y312-Y330 HydrophobicContact CE1-CD2 4.39Å; Y312-Y330 HydrophobicContact CE1-CE1 4.44Å; Y312-Y330 AromaticContact CE1-CE2 3.38Å; Y312-Y330 HydrophobicContact CE1-CE2 3.38Å; Y312-Y330 AromaticContact CE1-CZ 3.41Å; Y312-Y330 VanDerWaalsContact CE1-CZ 3.41Å; Y312-Y330 WeakPolarHBondContact CE1-OH 3.2Å; Y312-Y330 AromaticContact CZ-CE2 3.65Å
313	S	98.4	Very high	97.5	Very high	26 Å²	26	50.2 Å²	50.2	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-70.5	-29.8	174.9	86.7	0	0	0	0	113.9	L309 K310 I311 R317	L309-S313 WeakPolarHBondContact O-CB 3.26Å; L309-S313 PolarHBondContact O-N 2.8Å; K310-S313 WeakPolarHBondContact O-CB 3.46Å; K310-S313 PolarHBondContact O-N 3.21Å; K310-S313 PolarHBondContact O-OG 3.02Å; I311-S313 PolarHBondContact O-N 2.84Å; I311-S313 VanDerWaalsContact O-N 3.17Å; S313-R317 VanDerWaalsContact C-NH1 3.32Å; S313-R317 VanDerWaalsContact CB-NH1 3.33Å; S313-R317 WeakPolarHBondContact O-CG 3.18Å; S313-R317 VanDerWaalsContact O-CZ 3.3Å; S313-R317 PolarHBondContact O-N 3.32Å; S313-R317 PolarHBondContact O-NH1 3.25Å; S313-R317 PolarHBondContact OG-NH1 2.95Å
314	I	98.6	Very high	97.3	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-47.8	172.8	-66.1	169.6	0	0	0	108.6	L241 Y244 E245 K310 I311 D316 R317 T318	L241-I314 HydrophobicContact CB-CD1 4.27Å; L241-I314 HydrophobicContact CD2-CD1 4.02Å; Y244-I314 HydrophobicContact CE1-CG2 4.46Å; E245-I314 HydrophobicContact CB-CG2 4.17Å; E245-I314 HydrophobicContact CG-CG2 4.14Å; K310-I314 PolarHBondContact O-N 2.84Å; K310-I314 VanDerWaalsContact O-N 3.11Å; I311-I314 HydrophobicContact CD1-CD1 4.01Å; I311-I314 WeakPolarHBondContact O-CA 3.38Å; I311-I314 WeakPolarHBondContact O-CB 3.45Å; I311-I314 PolarHBondContact O-N 2.66Å; I314-D316 VanDerWaalsContact C-N 3.29Å; I314-D316 PolarHBondContact O-N 3.08Å; I314-R317 PolarHBondContact O-N 3.37Å; I314-T318 HydrophobicContact CG2-CG2 4.03Å; I314-T318 WeakPolarHBondContact O-CG2 3.44Å; I314-T318 PolarHBondContact O-N 3Å; I314-T318 PolarHBondContact O-OG1 3.03Å
315	E	98.6	Very high	97.3	Very high	13 Å²	13	56.6 Å²	56.6	6%	0.061	27%	0.268	C	S	.	.	H	α-helix	trans	-56.2	-40	175.9	-63.9	175.2	169.5	0	0	113.3	F215 G216 I311 Y312 R317 R319 V320 R325	F215-E315 VanDerWaalsContact CA-OE1 3.28Å; F215-E315 WeakPolarHBondContact CA-OE1 3.41Å; G216-E315 PolarHBondContact N-OE1 3.09Å; I311-E315 PolarHBondContact O-N 2.68Å; Y312-E315 WeakPolarHBondContact O-CB 3.5Å; Y312-E315 PolarHBondContact O-N 2.99Å; E315-R317 VanDerWaalsContact C-N 3.32Å; E315-R317 PolarHBondContact O-N 3.08Å; E315-R319 WeakPolarHBondContact O-CA 3.42Å; E315-R319 PolarHBondContact O-N 3.04Å; E315-V320 HydrophobicContact CB-CB 4.11Å; E315-V320 HydrophobicContact CB-CG2 3.94Å; E315-V320 HydrophobicContact CG-CB 4.45Å; E315-V320 HydrophobicContact CG-CG2 4.08Å; E315-V320 PolarHBondContact O-N 2.9Å; E315-R325 VanDerWaalsContact CB-NH2 3.32Å; E315-R325 IonicContact OE2-CZ 3.57Å; E315-R325 VanDerWaalsContact OE2-CZ 3.25Å; E315-R325 IonicContact OE2-NE 3.8Å; E315-R325 PolarHBondContact OE2-NE 3.35Å; E315-R325 IonicContact OE2-NH2 2.71Å; E315-R325 PolarHBondContact OE2-NH2 3.29Å
316	D	97.3	Very high	97.3	Very high	70 Å²	70	56.9 Å²	56.9	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-59.9	-42.2	174.7	-78.2	-22.9	0	0	0	111.3	Y312 I314 R325	Y312-D316 PolarHBondContact O-N 3.34Å; Y312-D316 VanDerWaalsContact O-N 3.09Å; I314-D316 VanDerWaalsContact C-N 3.29Å; I314-D316 PolarHBondContact O-N 3.08Å; D316-R325 IonicContact OD1-CZ 3.21Å; D316-R325 IonicContact OD1-NH1 2.76Å; D316-R325 PolarHBondContact OD1-NH1 3.25Å; D316-R325 IonicContact OD1-NH2 2.68Å; D316-R325 PolarHBondContact OD1-NH2 3.44Å; D316-R325 VanDerWaalsContact OD1-NH2 3.09Å
317	R	98.1	Very high	97.2	Very high	119 Å²	119	56.3 Å²	56.3	45%	0.449	27%	0.266	S	S	.	.	H	α-helix	trans	-78	-38.6	-177.8	-69.1	-172.1	-58.2	-85.2	2.7	112.8	E245 S313 I314 E315 R319	E245-R317 WeakPolarHBondContact OE1-CB 3.5Å; E245-R317 WeakPolarHBondContact OE1-CD 3.37Å; E245-R317 IonicContact OE1-CZ 3.73Å; E245-R317 IonicContact OE1-NE 3.95Å; E245-R317 PolarHBondContact OE1-NE 2.98Å; E245-R317 IonicContact OE1-NH2 2.74Å; E245-R317 IonicContact OE2-CZ 3.85Å; E245-R317 IonicContact OE2-NE 3.57Å; E245-R317 PolarHBondContact OE2-NE 3.29Å; E245-R317 IonicContact OE2-NH2 2.73Å; E245-R317 PolarHBondContact OE2-NH2 3.07Å; S313-R317 VanDerWaalsContact C-NH1 3.32Å; S313-R317 VanDerWaalsContact CB-NH1 3.33Å; S313-R317 WeakPolarHBondContact O-CG 3.18Å; S313-R317 VanDerWaalsContact O-CZ 3.3Å; S313-R317 PolarHBondContact O-N 3.32Å; S313-R317 PolarHBondContact O-NH1 3.25Å; S313-R317 PolarHBondContact OG-NH1 2.95Å; I314-R317 PolarHBondContact O-N 3.37Å; E315-R317 VanDerWaalsContact C-N 3.32Å; E315-R317 PolarHBondContact O-N 3.08Å; R317-R319 PolarHBondContact O-N 3.39Å
318	T	96.8	Very high	97.2	Very high	28 Å²	28	57.6 Å²	57.6	17%	0.172	27%	0.271	C	S	.	.	H	α-helix	trans	-80.9	-3.6	175.5	62	0	0	0	0	113.4	E245 L248 L249 I314	E245-T318 HydrophobicContact CG-CG2 3.97Å; L248-T318 HydrophobicContact CB-CG2 4.1Å; L248-T318 HydrophobicContact CD1-CG2 3.92Å; L249-T318 HydrophobicContact CD2-CG2 4.19Å; L249-T318 HydrophobicContact CG-CG2 4.18Å; I314-T318 HydrophobicContact CG2-CG2 4.03Å; I314-T318 WeakPolarHBondContact O-CG2 3.44Å; I314-T318 PolarHBondContact O-N 3Å; I314-T318 PolarHBondContact O-OG1 3.03Å
319	R	97.4	Very high	97.2	Very high	216 Å²	216	57.8 Å²	57.8	82%	0.815	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	42.8	174.4	-52	179.7	-179.4	-176.3	0.1	113.4	E315 R317 P321	E315-R319 WeakPolarHBondContact O-CA 3.42Å; E315-R319 PolarHBondContact O-N 3.04Å; R317-R319 PolarHBondContact O-N 3.39Å; R319-P321 WeakPolarHBondContact O-CD 3.32Å
320	V	96.1	Very high	97.2	Very high	39 Å²	39	57.7 Å²	57.7	24%	0.236	27%	0.27	C	S	.	.			trans	-56.2	126.4	176.8	177.5	0	0	0	0	109.9	E315 F324 R325	E315-V320 HydrophobicContact CB-CB 4.11Å; E315-V320 HydrophobicContact CB-CG2 3.94Å; E315-V320 HydrophobicContact CG-CB 4.45Å; E315-V320 HydrophobicContact CG-CG2 4.08Å; E315-V320 PolarHBondContact O-N 2.9Å; V320-F324 HydrophobicContact CG1-CB 3.94Å; V320-R325 HydrophobicContact CB-CG 4.19Å; V320-R325 HydrophobicContact CG1-CG 3.78Å; V320-R325 WeakPolarHBondContact O-CD 3.17Å
321	P	95.3	Very high	97.2	Very high	80 Å²	80	56.3 Å²	56.3	52%	0.519	26%	0.264	S	S	.	.			trans	-60.5	139.9	178	-24	32.9	0	0	0	112.2	R319 K323 F324	R319-P321 WeakPolarHBondContact O-CD 3.32Å; P321-K323 PolarHBondContact O-N 3.46Å; P321-F324 HydrophobicContact CB-CD2 4Å; P321-F324 HydrophobicContact CB-CE2 4.35Å; P321-F324 HydrophobicContact CG-CD2 4.15Å; P321-F324 HydrophobicContact CG-CE2 4.37Å; P321-F324 PolarHBondContact O-N 3.43Å
322	N	92.3	Very high	97.2	Very high	138 Å²	138	56.1 Å²	56.1	74%	0.738	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-54.6	-25	-175.2	-66.4	-12	0	0	0	115	F324 R325	N322-F324 PolarHBondContact O-N 3.05Å; N322-R325 PolarHBondContact O-N 3.45Å
323	K	91.6	Very high	97.2	Very high	116 Å²	116	54.8 Å²	54.8	50%	0.504	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-59.4	-26.8	173.7	-175.7	176.4	177.6	-177	0	112.5	D109 E120 P321	D109-K323 WeakPolarHBondContact OD1-CE 3.36Å; D109-K323 IonicContact OD1-NZ 3.36Å; D109-K323 PolarHBondContact OD1-NZ 3.04Å; D109-K323 WeakPolarHBondContact OD2-CE 3.3Å; D109-K323 IonicContact OD2-NZ 2.81Å; D109-K323 PolarHBondContact OD2-NZ 3.25Å; E120-K323 IonicContact OE1-NZ 3.41Å; E120-K323 PolarHBondContact OE1-NZ 3.03Å; P321-K323 PolarHBondContact O-N 3.46Å
324	F	94.1	Very high	97.2	Very high	123 Å²	123	53.6 Å²	53.6	54%	0.539	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-108.6	15	-176	-51	-63	0	0	0	113.3	F215 V320 P321 N322	F215-F324 WeakPolarHBondContact CB-O 3.28Å; V320-F324 HydrophobicContact CG1-CB 3.94Å; P321-F324 HydrophobicContact CB-CD2 4Å; P321-F324 HydrophobicContact CB-CE2 4.35Å; P321-F324 HydrophobicContact CG-CD2 4.15Å; P321-F324 HydrophobicContact CG-CE2 4.37Å; P321-F324 PolarHBondContact O-N 3.43Å; N322-F324 PolarHBondContact O-N 3.05Å
325	R	97.8	Very high	97.2	Very high	30 Å²	30	53.5 Å²	53.5	11%	0.113	25%	0.249	C	C	.	.	S	Bend	trans	-109.3	158.2	178.4	-58.5	-166.7	73.3	178.7	7.6	110.9	Y312 E315 D316 V320 N322 P327	Y312-R325 PolarHBondContact O-NH2 3.46Å; E315-R325 VanDerWaalsContact CB-NH2 3.32Å; E315-R325 IonicContact OE2-CZ 3.57Å; E315-R325 VanDerWaalsContact OE2-CZ 3.25Å; E315-R325 IonicContact OE2-NE 3.8Å; E315-R325 PolarHBondContact OE2-NE 3.35Å; E315-R325 IonicContact OE2-NH2 2.71Å; E315-R325 PolarHBondContact OE2-NH2 3.29Å; D316-R325 IonicContact OD1-CZ 3.21Å; D316-R325 IonicContact OD1-NH1 2.76Å; D316-R325 PolarHBondContact OD1-NH1 3.25Å; D316-R325 IonicContact OD1-NH2 2.68Å; D316-R325 PolarHBondContact OD1-NH2 3.44Å; D316-R325 VanDerWaalsContact OD1-NH2 3.09Å; V320-R325 HydrophobicContact CB-CG 4.19Å; V320-R325 HydrophobicContact CG1-CG 3.78Å; V320-R325 WeakPolarHBondContact O-CD 3.17Å; N322-R325 PolarHBondContact O-N 3.45Å; R325-P327 WeakPolarHBondContact O-CD 3.4Å
326	Y	98.6	Very high	97.2	Very high	7 Å²	7	52.9 Å²	52.9	3%	0.027	25%	0.246	C	C	.	.			trans	-59.1	122	175.6	-166.9	-81.3	0	0	0	111	V169 P194 V196 F215 T218 L300 Y329	V169-Y326 WeakPolarHBondContact CG2-OH 3.45Å; P194-Y326 HydrophobicContact CB-CD1 4.4Å; P194-Y326 HydrophobicContact CB-CE1 3.51Å; P194-Y326 WeakPolarHBondContact CB-OH 3.29Å; P194-Y326 HydrophobicContact CG-CE1 3.71Å; V196-Y326 HydrophobicContact CG2-CD2 4.47Å; V196-Y326 HydrophobicContact CG2-CE2 3.77Å; F215-Y326 AromaticContact CD2-CD2 3.81Å; F215-Y326 HydrophobicContact CD2-CD2 3.81Å; F215-Y326 HydrophobicContact CD2-CG 4.29Å; F215-Y326 AromaticContact CE2-CD2 3.75Å; F215-Y326 HydrophobicContact CE2-CD2 3.75Å; F215-Y326 HydrophobicContact CE2-CE2 4.46Å; T218-Y326 HydrophobicContact CG2-CD2 3.75Å; T218-Y326 HydrophobicContact CG2-CE2 3.83Å; L300-Y326 HydrophobicContact CD1-CD1 4.19Å; L300-Y326 HydrophobicContact CD1-CD2 3.92Å; L300-Y326 HydrophobicContact CD1-CE1 3.83Å; L300-Y326 HydrophobicContact CD1-CE2 3.53Å; L300-Y326 HydrophobicContact CD1-CG 4.24Å; L300-Y326 VanDerWaalsContact CD1-CZ 3.49Å; L300-Y326 HydrophobicContact CG-CD2 4.28Å; L300-Y326 HydrophobicContact CG-CE2 3.77Å; Y326-Y329 AromaticContact CD1-CD2 3.74Å; Y326-Y329 HydrophobicContact CD1-CD2 3.74Å; Y326-Y329 HydrophobicContact CD1-CG 4.36Å; Y326-Y329 AromaticContact CG-CD2 3.79Å; Y326-Y329 HydrophobicContact CG-CD2 3.79Å
327	P	98.4	Very high	97.3	Very high	21 Å²	21	49.5 Å²	49.5	14%	0.136	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	137.4	178.1	-20.2	32.3	0	0	0	111.7	I188 M191 P194 V196 R325 Y329	I188-P327 HydrophobicContact CD1-CB 4.07Å; M191-P327 HydrophobicContact CE-CG 4.38Å; M191-P327 HydrophobicContact SD-CB 3.67Å; M191-P327 HydrophobicContact SD-CG 3.73Å; P194-P327 HydrophobicContact CB-CB 4.49Å; P194-P327 WeakPolarHBondContact CG-O 3.3Å; V196-P327 HydrophobicContact CG1-CG 4.33Å; R325-P327 WeakPolarHBondContact O-CD 3.4Å; P327-Y329 VanDerWaalsContact C-N 3.31Å; P327-Y329 PolarHBondContact O-N 3.34Å
328	F	98.3	Very high	97.3	Very high	56 Å²	56	43.9 Å²	43.9	25%	0.246	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	39.4	174.4	-39.7	-65.1	0	0	0	114.5	W173 I188 M191 P194 E331 M332	W173-F328 HydrophobicContact CH2-CB 3.69Å; W173-F328 HydrophobicContact CH2-CD2 4.23Å; W173-F328 HydrophobicContact CH2-CG 4.04Å; W173-F328 HydrophobicContact CZ3-CB 4.01Å; I188-F328 HydrophobicContact CD1-CE1 4.42Å; I188-F328 HydrophobicContact CD1-CE2 4.43Å; I188-F328 HydrophobicContact CD1-CZ 3.97Å; M191-F328 HydrophobicContact CB-CE2 4.24Å; M191-F328 HydrophobicContact CB-CZ 4.34Å; M191-F328 HydrophobicContact CG-CE2 3.91Å; M191-F328 HydrophobicContact CG-CZ 4.49Å; M191-F328 VanDerWaalsContact O-CZ 3.29Å; M191-F328 WeakPolarHBondContact O-CZ 3.31Å; M191-F328 HydrophobicContact SD-CE2 3.98Å; P194-F328 HydrophobicContact CG-CB 4.34Å; P194-F328 HydrophobicContact CG-CD2 4.18Å; F328-E331 WeakPolarHBondContact CA-OE2 3Å; F328-E331 HydrophobicContact CB-CB 3.97Å; F328-E331 HydrophobicContact CB-CG 4.27Å; F328-M332 WeakPolarHBondContact O-CB 3.14Å; F328-M332 PolarHBondContact O-N 3.39Å
329	Y	98.7	Very high	97.4	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-46	-171.3	-173.3	-93	0	0	0	114.2	G216 L300 Q308 L309 Y312 Y326 P327 E331 C333	G216-Y329 WeakPolarHBondContact O-CE2 2.93Å; G216-Y329 PolarHBondContact O-OH 3.36Å; L300-Y329 HydrophobicContact CD1-CD2 3.99Å; L300-Y329 HydrophobicContact CD1-CE2 3.79Å; L300-Y329 HydrophobicContact CD2-CE2 4.29Å; Q308-Y329 WeakPolarHBondContact CB-OH 3.34Å; Q308-Y329 PolarHBondContact O-OH 3.26Å; L309-Y329 HydrophobicContact CD2-CE1 3.94Å; L309-Y329 PolarHBondContact N-OH 3.29Å; Y312-Y329 HydrophobicContact CD1-CD1 4.43Å; Y312-Y329 HydrophobicContact CD1-CE1 4.4Å; Y312-Y329 AromaticContact CD2-CD1 3.3Å; Y312-Y329 HydrophobicContact CD2-CD1 3.3Å; Y312-Y329 AromaticContact CD2-CD2 3.77Å; Y312-Y329 HydrophobicContact CD2-CD2 3.77Å; Y312-Y329 AromaticContact CD2-CE1 3.5Å; Y312-Y329 HydrophobicContact CD2-CE1 3.5Å; Y312-Y329 VanDerWaalsContact CD2-CE1 3.5Å; Y312-Y329 AromaticContact CD2-CE2 3.93Å; Y312-Y329 HydrophobicContact CD2-CE2 3.93Å; Y312-Y329 AromaticContact CD2-CG 3.43Å; Y312-Y329 HydrophobicContact CD2-CG 3.43Å; Y312-Y329 VanDerWaalsContact CD2-CG 3.43Å; Y312-Y329 AromaticContact CD2-CZ 3.78Å; Y312-Y329 AromaticContact CE2-CD1 3.45Å; Y312-Y329 HydrophobicContact CE2-CD1 3.45Å; Y312-Y329 VanDerWaalsContact CE2-CD1 3.45Å; Y312-Y329 HydrophobicContact CE2-CD2 4.1Å; Y312-Y329 HydrophobicContact CE2-CE1 4.13Å; Y312-Y329 AromaticContact CE2-CG 3.42Å; Y312-Y329 HydrophobicContact CE2-CG 3.42Å; Y312-Y329 VanDerWaalsContact CE2-CG 3.42Å; Y312-Y329 AromaticContact CG-CD1 3.83Å; Y312-Y329 HydrophobicContact CG-CD1 3.83Å; Y312-Y329 AromaticContact CG-CE1 3.64Å; Y312-Y329 HydrophobicContact CG-CE1 3.64Å; Y312-Y329 HydrophobicContact CG-CG 4.38Å; Y326-Y329 AromaticContact CD1-CD2 3.74Å; Y326-Y329 HydrophobicContact CD1-CD2 3.74Å; Y326-Y329 HydrophobicContact CD1-CG 4.36Å; Y326-Y329 AromaticContact CG-CD2 3.79Å; Y326-Y329 HydrophobicContact CG-CD2 3.79Å; P327-Y329 VanDerWaalsContact C-N 3.31Å; P327-Y329 PolarHBondContact O-N 3.34Å; Y329-E331 PolarHBondContact N-OE2 3.42Å; Y329-C333 PolarHBondContact O-N 3.35Å; Y329-C333 VanDerWaalsContact O-N 3.15Å; Y329-C333 PolarHBondContact O-SG 2.68Å
330	Y	98.6	Very high	97.4	Very high	14 Å²	14	34.4 Å²	34.4	6%	0.055	17%	0.168	C	C	.	.	H	α-helix	trans	-79.4	-32.3	-180	-70.8	-57.4	0	0	0	111.5	Y312 M332 C333 W334 K467 L468 L471	Y312-Y330 HydrophobicContact CD1-CE2 4.23Å; Y312-Y330 AromaticContact CD1-CZ 3.79Å; Y312-Y330 VanDerWaalsContact CD1-OH 3.24Å; Y312-Y330 WeakPolarHBondContact CD1-OH 3.3Å; Y312-Y330 HydrophobicContact CE1-CD2 4.39Å; Y312-Y330 HydrophobicContact CE1-CE1 4.44Å; Y312-Y330 AromaticContact CE1-CE2 3.38Å; Y312-Y330 HydrophobicContact CE1-CE2 3.38Å; Y312-Y330 AromaticContact CE1-CZ 3.41Å; Y312-Y330 VanDerWaalsContact CE1-CZ 3.41Å; Y312-Y330 WeakPolarHBondContact CE1-OH 3.2Å; Y312-Y330 AromaticContact CZ-CE2 3.65Å; Y330-M332 VanDerWaalsContact C-N 3.29Å; Y330-M332 PolarHBondContact O-N 3.08Å; Y330-C333 WeakPolarHBondContact O-CB 3.46Å; Y330-C333 PolarHBondContact O-N 3.29Å; Y330-C333 VanDerWaalsContact O-N 3.08Å; Y330-W334 PolarHBondContact O-N 2.76Å; Y330-K467 HydrophobicContact CE1-CG 4.12Å; Y330-K467 WeakPolarHBondContact OH-CE 3.5Å; Y330-K467 PolarHBondContact OH-NZ 3.37Å; Y330-L468 HydrophobicContact CD1-CD2 4.1Å; Y330-L471 HydrophobicContact CD1-CD1 3.79Å; Y330-L471 HydrophobicContact CD2-CD1 4.12Å; Y330-L471 HydrophobicContact CE1-CD1 3.93Å; Y330-L471 HydrophobicContact CE1-CD2 4.34Å; Y330-L471 HydrophobicContact CE2-CD1 4.26Å; Y330-L471 HydrophobicContact CE2-CD2 4.13Å; Y330-L471 HydrophobicContact CG-CD1 3.89Å
331	E	98.7	Very high	97.5	Very high	44 Å²	44	32.9 Å²	32.9	21%	0.206	16%	0.159	C	C	.	.	H	α-helix	trans	-55.9	-44.6	168.8	-64.4	77.2	179.7	0	0	110.7	W173 F328 Y329 W334 Y335 C477 P479	W173-E331 HydrophobicContact CH2-CB 4.25Å; W173-E331 HydrophobicContact CZ3-CB 4.17Å; F328-E331 WeakPolarHBondContact CA-OE2 3Å; F328-E331 HydrophobicContact CB-CB 3.97Å; F328-E331 HydrophobicContact CB-CG 4.27Å; Y329-E331 PolarHBondContact N-OE2 3.42Å; E331-W334 PolarHBondContact O-N 3.07Å; E331-Y335 VanDerWaalsContact O-CD2 3.3Å; E331-Y335 WeakPolarHBondContact O-CD2 3.34Å; E331-Y335 PolarHBondContact O-N 2.94Å; E331-C477 HydrophobicContact CG-CB 4.37Å; E331-C477 WeakPolarHBondContact CG-O 3.46Å; E331-C477 WeakPolarHBondContact OE1-CB 3.2Å; E331-C477 PolarHBondContact OE1-SG 3.13Å; E331-C477 VanDerWaalsContact OE1-SG 3.38Å; E331-P479 HydrophobicContact CB-CB 4.04Å; E331-P479 HydrophobicContact CB-CG 4.48Å; E331-P479 HydrophobicContact CG-CB 4.25Å
332	M	98.8	Very high	97.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.1	-43	172.6	179.8	62.5	81.1	0	0	111.8	W168 V169 M172 W173 P194 F328 Y330 W334 Y335 V336	W168-M332 HydrophobicContact CB-CE 4.23Å; W168-M332 HydrophobicContact CB-CG 4.16Å; W168-M332 HydrophobicContact CB-SD 3.86Å; W168-M332 HydrophobicContact CD2-CG 4.37Å; W168-M332 HydrophobicContact CE3-CG 3.65Å; W168-M332 HydrophobicContact CZ3-CG 4.38Å; V169-M332 HydrophobicContact CG2-CE 4.03Å; M172-M332 HydrophobicContact CB-SD 3.87Å; W173-M332 HydrophobicContact CB-CE 4.08Å; W173-M332 HydrophobicContact CD2-CE 4.35Å; W173-M332 HydrophobicContact CE3-CE 3.68Å; W173-M332 HydrophobicContact CE3-SD 4.12Å; W173-M332 HydrophobicContact CZ3-CB 4.44Å; P194-M332 HydrophobicContact CG-CE 3.88Å; F328-M332 WeakPolarHBondContact O-CB 3.14Å; F328-M332 PolarHBondContact O-N 3.39Å; Y330-M332 VanDerWaalsContact C-N 3.29Å; Y330-M332 PolarHBondContact O-N 3.08Å; M332-W334 VanDerWaalsContact C-N 3.28Å; M332-W334 PolarHBondContact O-N 2.82Å; M332-Y335 PolarHBondContact O-N 2.8Å; M332-V336 HydrophobicContact CG-CG2 4.45Å; M332-V336 WeakPolarHBondContact O-CG2 3.35Å; M332-V336 PolarHBondContact O-N 3.13Å
333	C	98.8	Very high	97.7	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	12%	0.124	C	C	.	.	H	α-helix	trans	-59.3	-37.3	177.5	-66.7	0	0	0	0	112.6	Y329 Y330 V336 L337 L464 L468	Y329-C333 PolarHBondContact O-N 3.35Å; Y329-C333 VanDerWaalsContact O-N 3.15Å; Y329-C333 PolarHBondContact O-SG 2.68Å; Y330-C333 WeakPolarHBondContact O-CB 3.46Å; Y330-C333 PolarHBondContact O-N 3.29Å; Y330-C333 VanDerWaalsContact O-N 3.08Å; C333-V336 PolarHBondContact O-N 2.9Å; C333-L337 PolarHBondContact O-N 2.71Å; C333-L464 HydrophobicContact CB-CD2 3.9Å; C333-L468 HydrophobicContact CB-CD1 4.26Å; C333-L468 HydrophobicContact CB-CD2 4.28Å
334	W	98.8	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-45.9	173.6	-77.7	110.8	0	0	0	112.6	Y330 E331 M332 V336 L337 E338 L468 K476 C477 V478 P479 I482 E485 L488 I489	Y330-W334 PolarHBondContact O-N 2.76Å; E331-W334 PolarHBondContact O-N 3.07Å; M332-W334 VanDerWaalsContact C-N 3.28Å; M332-W334 PolarHBondContact O-N 2.82Å; W334-V336 VanDerWaalsContact C-N 3.33Å; W334-V336 PolarHBondContact O-N 3.36Å; W334-L337 PolarHBondContact O-N 3.28Å; W334-E338 PolarHBondContact O-N 3.05Å; W334-L468 HydrophobicContact CD2-CD1 3.89Å; W334-L468 HydrophobicContact CE3-CD1 4.08Å; W334-L468 HydrophobicContact CG-CD1 4.37Å; W334-L468 HydrophobicContact CH2-CB 4.22Å; W334-L468 HydrophobicContact CH2-CD1 4.32Å; W334-L468 HydrophobicContact CZ2-CB 3.94Å; W334-L468 HydrophobicContact CZ2-CD1 4.14Å; W334-L468 HydrophobicContact CZ2-CD2 4.23Å; W334-L468 HydrophobicContact CZ2-CG 4.33Å; W334-L468 HydrophobicContact CZ3-CD1 4.3Å; W334-K476 PolarHBondContact NE1-O 2.85Å; W334-C477 VanDerWaalsContact CD1-O 3.23Å; W334-V478 HydrophobicContact CZ2-CG2 4.07Å; W334-P479 VanDerWaalsContact CB-CD 3.46Å; W334-P479 HydrophobicContact CB-CG 3.88Å; W334-I482 HydrophobicContact CB-CG1 4.46Å; W334-E485 HydrophobicContact CE3-CB 4.38Å; W334-E485 HydrophobicContact CH2-CB 3.69Å; W334-E485 HydrophobicContact CH2-CG 4.26Å; W334-E485 HydrophobicContact CZ2-CB 4.24Å; W334-E485 HydrophobicContact CZ3-CB 3.76Å; W334-L488 HydrophobicContact CE3-CD2 4.01Å; W334-L488 HydrophobicContact CZ3-CD2 4.41Å; W334-I489 HydrophobicContact CH2-CD1 4Å; W334-I489 HydrophobicContact CH2-CG1 3.77Å; W334-I489 HydrophobicContact CZ3-CD1 3.9Å; W334-I489 HydrophobicContact CZ3-CG1 3.74Å
335	Y	98.8	Very high	97.8	Very high	4 Å²	4	23 Å²	23	2%	0.016	12%	0.115	C	C	.	.	H	α-helix	trans	-63.7	-38	175.8	-70.6	-54.8	0	0	0	112.2	M172 W173 P174 E331 M332 L337 E338 R339 L350 F354 P479 G481 I482	M172-Y335 WeakPolarHBondContact O-CB 3.42Å; W173-Y335 HydrophobicContact CD2-CD2 4.4Å; W173-Y335 HydrophobicContact CD2-CE2 4.39Å; W173-Y335 AromaticContact CE3-CD2 3.71Å; W173-Y335 HydrophobicContact CE3-CD2 3.71Å; W173-Y335 AromaticContact CE3-CE2 3.96Å; W173-Y335 HydrophobicContact CE3-CE2 3.96Å; W173-Y335 HydrophobicContact CH2-CE2 4.14Å; W173-Y335 AromaticContact CZ3-CD2 3.82Å; W173-Y335 HydrophobicContact CZ3-CD2 3.82Å; W173-Y335 AromaticContact CZ3-CE2 3.84Å; W173-Y335 HydrophobicContact CZ3-CE2 3.84Å; P174-Y335 HydrophobicContact CG-CD1 4.03Å; P174-Y335 HydrophobicContact CG-CD2 4.39Å; P174-Y335 HydrophobicContact CG-CE1 3.55Å; P174-Y335 HydrophobicContact CG-CE2 3.93Å; P174-Y335 HydrophobicContact CG-CG 4.43Å; P174-Y335 VanDerWaalsContact CG-CZ 3.48Å; E331-Y335 VanDerWaalsContact O-CD2 3.3Å; E331-Y335 WeakPolarHBondContact O-CD2 3.34Å; E331-Y335 PolarHBondContact O-N 2.94Å; M332-Y335 PolarHBondContact O-N 2.8Å; Y335-L337 VanDerWaalsContact C-N 3.32Å; Y335-L337 PolarHBondContact O-N 3.04Å; Y335-E338 PolarHBondContact O-N 3.38Å; Y335-R339 VanDerWaalsContact O-CG 3.29Å; Y335-R339 WeakPolarHBondContact O-CG 3.31Å; Y335-R339 PolarHBondContact O-N 3.4Å; Y335-L350 HydrophobicContact CD1-CD2 4.01Å; Y335-L350 HydrophobicContact CE1-CD2 3.75Å; Y335-F354 WeakPolarHBondContact OH-CE1 3.43Å; Y335-P479 HydrophobicContact CD1-CG 4.36Å; Y335-P479 HydrophobicContact CD2-CB 4.42Å; Y335-P479 HydrophobicContact CD2-CG 4.05Å; Y335-P479 HydrophobicContact CE1-CB 4.43Å; Y335-P479 HydrophobicContact CE1-CG 3.96Å; Y335-P479 HydrophobicContact CE2-CB 3.61Å; Y335-P479 HydrophobicContact CE2-CG 3.65Å; Y335-P479 HydrophobicContact CG-CG 4.4Å; Y335-G481 PolarHBondContact OH-N 3.42Å; Y335-I482 HydrophobicContact CD1-CD1 4.3Å; Y335-I482 HydrophobicContact CE1-CD1 4.47Å; Y335-I482 HydrophobicContact CE1-CG1 4.45Å
336	V	98.8	Very high	97.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-54.6	-48	172.8	172.9	0	0	0	0	110.9	W168 M172 M332 C333 W334 R339 Y340 L464	W168-V336 HydrophobicContact CD2-CG2 3.55Å; W168-V336 HydrophobicContact CE3-CG2 3.85Å; W168-V336 HydrophobicContact CG-CG2 4.01Å; W168-V336 HydrophobicContact CH2-CG2 4.05Å; W168-V336 HydrophobicContact CZ2-CB 4.46Å; W168-V336 HydrophobicContact CZ2-CG1 4.01Å; W168-V336 HydrophobicContact CZ2-CG2 3.77Å; W168-V336 HydrophobicContact CZ3-CG2 4.09Å; M172-V336 HydrophobicContact CB-CG2 4.03Å; M172-V336 HydrophobicContact CG-CG2 3.82Å; M172-V336 HydrophobicContact SD-CG2 4.32Å; M332-V336 HydrophobicContact CG-CG2 4.45Å; M332-V336 WeakPolarHBondContact O-CG2 3.35Å; M332-V336 PolarHBondContact O-N 3.13Å; C333-V336 PolarHBondContact O-N 2.9Å; W334-V336 VanDerWaalsContact C-N 3.33Å; W334-V336 PolarHBondContact O-N 3.36Å; V336-R339 PolarHBondContact O-N 3.42Å; V336-Y340 HydrophobicContact CG1-CD2 3.96Å; V336-Y340 HydrophobicContact CG1-CE2 4.09Å; V336-Y340 WeakPolarHBondContact O-CD2 3.48Å; V336-Y340 PolarHBondContact O-N 3.46Å; V336-Y340 VanDerWaalsContact O-N 3.08Å; V336-L464 HydrophobicContact CB-CD1 4.13Å; V336-L464 HydrophobicContact CG1-CD1 3.67Å
337	L	98.8	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-45.2	177	-68.6	-170.3	0	0	0	112.4	C333 W334 Y335 R339 Y340 V341 L461 L464 V465 L468 L488 I489 V492	C333-L337 PolarHBondContact O-N 2.71Å; W334-L337 PolarHBondContact O-N 3.28Å; Y335-L337 VanDerWaalsContact C-N 3.32Å; Y335-L337 PolarHBondContact O-N 3.04Å; L337-R339 PolarHBondContact O-N 3.1Å; L337-Y340 PolarHBondContact O-N 3.24Å; L337-V341 WeakPolarHBondContact O-CG2 3.42Å; L337-V341 PolarHBondContact O-N 3.19Å; L337-L461 HydrophobicContact CD2-CD2 3.7Å; L337-L464 HydrophobicContact CD1-CB 4.47Å; L337-L464 HydrophobicContact CD2-CB 3.94Å; L337-L464 HydrophobicContact CD2-CD1 3.8Å; L337-L464 HydrophobicContact CG-CB 4.35Å; L337-L464 HydrophobicContact CG-CD1 4.21Å; L337-V465 HydrophobicContact CD1-CG2 4.14Å; L337-V465 HydrophobicContact CD2-CG2 4.46Å; L337-L468 HydrophobicContact CD1-CD1 3.7Å; L337-L468 HydrophobicContact CG-CD1 4.46Å; L337-L488 HydrophobicContact CB-CD1 4.38Å; L337-L488 HydrophobicContact CB-CD2 4.23Å; L337-L488 HydrophobicContact CB-CG 4.35Å; L337-I489 HydrophobicContact CD1-CD1 3.76Å; L337-V492 HydrophobicContact CB-CG2 4.08Å; L337-V492 HydrophobicContact CD1-CG2 4.33Å; L337-V492 HydrophobicContact CD2-CG1 4.09Å; L337-V492 HydrophobicContact CD2-CG2 4.11Å; L337-V492 HydrophobicContact CG-CG2 4.4Å
338	E	98.6	Very high	97.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-58.2	-47.2	176.9	-164.1	-76.7	160.3	0	0	111.6	W334 Y335 Y340 V341 Y342 S348 H349 L350 I482 L488	W334-E338 PolarHBondContact O-N 3.05Å; Y335-E338 PolarHBondContact O-N 3.38Å; E338-Y340 PolarHBondContact O-N 2.88Å; E338-V341 PolarHBondContact O-N 2.89Å; E338-Y342 VanDerWaalsContact O-CB 3.32Å; E338-Y342 WeakPolarHBondContact O-CB 3.24Å; E338-Y342 PolarHBondContact O-N 3.47Å; E338-S348 VanDerWaalsContact OE1-CA 3.26Å; E338-S348 WeakPolarHBondContact OE1-CA 3.33Å; E338-S348 WeakPolarHBondContact OE1-CB 3.34Å; E338-S348 PolarHBondContact OE1-OG 3.23Å; E338-H349 HydrophobicContact CG-CB 4Å; E338-H349 PolarHBondContact OE1-N 2.78Å; E338-L350 HydrophobicContact CG-CD2 4.24Å; E338-L350 HydrophobicContact CG-CG 3.96Å; E338-I482 HydrophobicContact CB-CD1 3.78Å; E338-I482 HydrophobicContact CG-CD1 3.89Å; E338-L488 HydrophobicContact CB-CD2 4.15Å
339	R	98.1	Very high	97.5	Very high	37 Å²	37	32.1 Å²	32.1	14%	0.14	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-43.8	179.8	-68.2	-49.7	-60.9	138	1.5	112.1	M172 Y335 V336 L337 C343 L392	M172-R339 HydrophobicContact CB-CG 4.22Å; M172-R339 HydrophobicContact SD-CB 3.73Å; M172-R339 HydrophobicContact SD-CG 3.77Å; Y335-R339 VanDerWaalsContact O-CG 3.29Å; Y335-R339 WeakPolarHBondContact O-CG 3.31Å; Y335-R339 PolarHBondContact O-N 3.4Å; V336-R339 PolarHBondContact O-N 3.42Å; L337-R339 PolarHBondContact O-N 3.1Å; R339-C343 PolarHBondContact NH2-SG 2.64Å; R339-C343 VanDerWaalsContact O-CB 3.3Å; R339-C343 WeakPolarHBondContact O-CB 3.34Å; R339-C343 PolarHBondContact O-N 2.79Å; R339-C343 PolarHBondContact O-SG 2.78Å; R339-L392 PolarHBondContact NH2-O 2.89Å
340	Y	98.1	Very high	97.5	Very high	8 Å²	8	32.7 Å²	32.7	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-47.2	177.7	-92.8	-85.9	0	0	0	111.4	M172 S302 V336 L337 E338 I344 L453 E457 L461	M172-Y340 HydrophobicContact CE-CE2 4.32Å; S302-Y340 WeakPolarHBondContact CB-OH 3.37Å; S302-Y340 PolarHBondContact OG-OH 3.26Å; V336-Y340 HydrophobicContact CG1-CD2 3.96Å; V336-Y340 HydrophobicContact CG1-CE2 4.09Å; V336-Y340 WeakPolarHBondContact O-CD2 3.48Å; V336-Y340 PolarHBondContact O-N 3.46Å; V336-Y340 VanDerWaalsContact O-N 3.08Å; L337-Y340 PolarHBondContact O-N 3.24Å; E338-Y340 PolarHBondContact O-N 2.88Å; Y340-I344 HydrophobicContact CD1-CD1 4.12Å; Y340-I344 WeakPolarHBondContact O-CB 3.41Å; Y340-I344 VanDerWaalsContact O-CG1 3.27Å; Y340-I344 WeakPolarHBondContact O-CG1 3.29Å; Y340-I344 PolarHBondContact O-N 2.99Å; Y340-I344 VanDerWaalsContact O-N 3.15Å; Y340-L453 HydrophobicContact CD1-CD1 4.21Å; Y340-L453 HydrophobicContact CD1-CD2 4.38Å; Y340-L453 HydrophobicContact CE1-CD1 4.21Å; Y340-L453 HydrophobicContact CE1-CD2 3.92Å; Y340-E457 PolarHBondContact OH-OE1 3.35Å; Y340-L461 HydrophobicContact CD1-CD1 3.85Å; Y340-L461 HydrophobicContact CD1-CD2 4.35Å; Y340-L461 HydrophobicContact CD2-CD2 3.78Å; Y340-L461 HydrophobicContact CE1-CD1 4.23Å; Y340-L461 HydrophobicContact CE2-CD2 4.29Å; Y340-L461 HydrophobicContact CG-CD1 4.12Å; Y340-L461 HydrophobicContact CG-CD2 3.82Å
341	V	97.8	Very high	97.5	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-47.7	176.6	174.8	0	0	0	0	110.8	L337 E338 I344 T345 L488 D491 V492	L337-V341 WeakPolarHBondContact O-CG2 3.42Å; L337-V341 PolarHBondContact O-N 3.19Å; E338-V341 PolarHBondContact O-N 2.89Å; V341-I344 PolarHBondContact O-N 3.42Å; V341-T345 HydrophobicContact CG1-CG2 4.38Å; V341-T345 WeakPolarHBondContact O-CB 3.17Å; V341-T345 WeakPolarHBondContact O-CG2 3.34Å; V341-T345 PolarHBondContact O-N 3.06Å; V341-T345 PolarHBondContact O-OG1 2.86Å; V341-L488 HydrophobicContact CB-CD1 4.21Å; V341-L488 HydrophobicContact CG2-CD1 3.86Å; V341-D491 HydrophobicContact CG1-CB 4.08Å; V341-D491 HydrophobicContact CG2-CB 4.45Å; V341-V492 HydrophobicContact CG2-CB 4.45Å; V341-V492 HydrophobicContact CG2-CG2 3.44Å; V341-V492 VanDerWaalsContact CG2-CG2 3.44Å
342	Y	97	Very high	97.4	Very high	51 Å²	51	36.6 Å²	36.6	20%	0.2	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-47.5	-179.8	-179.7	-102.7	0	0	0	112.7	E338 I344 N346 R347	E338-Y342 VanDerWaalsContact O-CB 3.32Å; E338-Y342 WeakPolarHBondContact O-CB 3.24Å; E338-Y342 PolarHBondContact O-N 3.47Å; Y342-I344 VanDerWaalsContact C-N 3.31Å; Y342-I344 PolarHBondContact O-N 3.3Å; Y342-N346 WeakPolarHBondContact O-CA 3.45Å; Y342-N346 PolarHBondContact O-N 3.23Å; Y342-R347 WeakPolarHBondContact CA-O 3.38Å
343	C	94.3	Very high	97.3	Very high	48 Å²	48	41.3 Å²	41.3	32%	0.324	21%	0.207	S	C	.	.	H	α-helix	trans	-69.4	-28.1	-176.6	-63.6	0	0	0	0	113.2	R339 L392	R339-C343 PolarHBondContact NH2-SG 2.64Å; R339-C343 VanDerWaalsContact O-CB 3.3Å; R339-C343 WeakPolarHBondContact O-CB 3.34Å; R339-C343 PolarHBondContact O-N 2.79Å; R339-C343 PolarHBondContact O-SG 2.78Å; C343-L392 HydrophobicContact CB-CD2 4.25Å; C343-L392 PolarHBondContact SG-O 2.79Å
344	I	94.1	Very high	97.2	Very high	74 Å²	74	42.6 Å²	42.6	38%	0.379	21%	0.212	S	C	.	.	H	α-helix	trans	-90.5	-40.3	-179	-63.2	171.7	0	0	0	111.7	Y340 V341 Y342 V451 L453	Y340-I344 HydrophobicContact CD1-CD1 4.12Å; Y340-I344 WeakPolarHBondContact O-CB 3.41Å; Y340-I344 VanDerWaalsContact O-CG1 3.27Å; Y340-I344 WeakPolarHBondContact O-CG1 3.29Å; Y340-I344 PolarHBondContact O-N 2.99Å; Y340-I344 VanDerWaalsContact O-N 3.15Å; V341-I344 PolarHBondContact O-N 3.42Å; Y342-I344 VanDerWaalsContact C-N 3.31Å; Y342-I344 PolarHBondContact O-N 3.3Å; I344-V451 HydrophobicContact CG1-CB 4.32Å; I344-V451 HydrophobicContact CG1-CG1 4.22Å; I344-V451 HydrophobicContact CG1-CG2 4.33Å; I344-V451 HydrophobicContact CG2-CB 4.29Å; I344-V451 HydrophobicContact CG2-CG2 4.26Å; I344-L453 HydrophobicContact CD1-CD1 3.97Å; I344-L453 HydrophobicContact CD1-CD2 4.2Å; I344-L453 HydrophobicContact CD1-CG 4.32Å
345	T	94.8	Very high	97.1	Very high	77 Å²	77	44.9 Å²	44.9	47%	0.472	22%	0.223	S	C	.	.	H	α-helix	trans	-108	-10.5	-170.5	74.4	0	0	0	0	114.3	V341 R347	V341-T345 HydrophobicContact CG1-CG2 4.38Å; V341-T345 WeakPolarHBondContact O-CB 3.17Å; V341-T345 WeakPolarHBondContact O-CG2 3.34Å; V341-T345 PolarHBondContact O-N 3.06Å; V341-T345 PolarHBondContact O-OG1 2.86Å; T345-R347 PolarHBondContact O-N 3.31Å; T345-R347 WeakPolarHBondContact OG1-CB 3.33Å; T345-R347 PolarHBondContact OG1-N 3.02Å
346	N	94.5	Very high	96.9	Very high	122 Å²	122	50.6 Å²	50.6	65%	0.652	25%	0.248	S	C	*	.	S	Bend	trans	57.6	22	-170.8	-163.4	73.3	0	0	0	114.1	Y342	Y342-N346 WeakPolarHBondContact O-CA 3.45Å; Y342-N346 PolarHBondContact O-N 3.23Å
347	R	96	Very high	96.7	Very high	139 Å²	139	55 Å²	55	53%	0.525	27%	0.268	S	S	.	.			trans	-105.7	119.9	171.8	-172.5	-168.6	-65.7	-176.4	6.5	109.3	Y342 T345 D491	Y342-R347 WeakPolarHBondContact CA-O 3.38Å; T345-R347 PolarHBondContact O-N 3.31Å; T345-R347 WeakPolarHBondContact OG1-CB 3.33Å; T345-R347 PolarHBondContact OG1-N 3.02Å; R347-D491 WeakPolarHBondContact CD-OD2 3.44Å; R347-D491 IonicContact CZ-OD1 3.16Å; R347-D491 IonicContact CZ-OD2 2.86Å; R347-D491 IonicContact NE-OD2 2.78Å; R347-D491 IonicContact NH1-OD1 3.6Å; R347-D491 PolarHBondContact NH1-OD1 3.1Å; R347-D491 IonicContact NH1-OD2 3.25Å; R347-D491 PolarHBondContact NH1-OD2 2.91Å
348	S	97.3	Very high	96.4	Very high	27 Å²	27	56.6 Å²	56.6	19%	0.189	28%	0.28	C	S	.	.			trans	-92.8	140.6	176.9	-179.4	0	0	0	0	110.6	E338 L350	E338-S348 VanDerWaalsContact OE1-CA 3.26Å; E338-S348 WeakPolarHBondContact OE1-CA 3.33Å; E338-S348 WeakPolarHBondContact OE1-CB 3.34Å; E338-S348 PolarHBondContact OE1-OG 3.23Å; S348-L350 WeakPolarHBondContact OG-CB 3.39Å; S348-L350 PolarHBondContact OG-N 3.2Å; S348-L350 VanDerWaalsContact OG-N 3.11Å
349	H	98.2	Very high	96	Very high	16 Å²	16	61.2 Å²	61.2	7%	0.074	30%	0.304	C	S	.	.			trans	-107.3	12.3	169.7	-67.5	-94	0	0	0	112.1	E338 I482 E483 L488 D491	E338-H349 HydrophobicContact CG-CB 4Å; E338-H349 PolarHBondContact OE1-N 2.78Å; H349-I482 WeakPolarHBondContact O-CA 3.47Å; H349-E483 PolarHBondContact O-N 3.2Å; H349-L488 HydrophobicContact CB-CB 4.09Å; H349-L488 HydrophobicContact CB-CD1 4.12Å; H349-L488 HydrophobicContact CB-CD2 4.39Å; H349-L488 HydrophobicContact CB-CG 4.43Å; H349-D491 IonicContact CE1-OD2 3.6Å; H349-D491 PolarHBondContact CE1-OD2 3.48Å; H349-D491 IonicContact NE2-OD2 2.78Å; H349-D491 PolarHBondContact NE2-OD2 3.22Å
350	L	98.1	Very high	95.6	Very high	17 Å²	17	62 Å²	62	9%	0.089	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-75.2	149.4	169.4	-66.8	171.4	0	0	0	111.4	Y335 E338 S348 F354 Q355 G481 I482	Y335-L350 HydrophobicContact CD1-CD2 4.01Å; Y335-L350 HydrophobicContact CE1-CD2 3.75Å; E338-L350 HydrophobicContact CG-CD2 4.24Å; E338-L350 HydrophobicContact CG-CG 3.96Å; S348-L350 WeakPolarHBondContact OG-CB 3.39Å; S348-L350 PolarHBondContact OG-N 3.2Å; S348-L350 VanDerWaalsContact OG-N 3.11Å; L350-F354 HydrophobicContact CB-CB 4Å; L350-F354 HydrophobicContact CD1-CB 4.41Å; L350-F354 HydrophobicContact CD2-CB 4.39Å; L350-F354 HydrophobicContact CD2-CD1 4.39Å; L350-F354 HydrophobicContact CG-CB 4.49Å; L350-Q355 HydrophobicContact CB-CG 4.04Å; L350-Q355 PolarHBondContact O-NE2 2.95Å; L350-G481 CarbonylContact C-O 3.52Å; L350-G481 WeakPolarHBondContact CA-O 3.46Å; L350-G481 VanDerWaalsContact CD2-O 3.3Å; L350-G481 WeakPolarHBondContact CD2-O 3.31Å; L350-I482 HydrophobicContact CD2-CD1 4.22Å
351	T	98.3	Very high	95.1	Very high	34 Å²	34	62.4 Å²	62.4	21%	0.209	32%	0.317	C	S	.	.			trans	-58.6	155.7	170.3	64.7	0	0	0	0	111.6	D353 F354 Q355 G481 E483	T351-D353 PolarHBondContact O-N 3.14Å; T351-D353 VanDerWaalsContact O-N 3.12Å; T351-F354 PolarHBondContact O-N 3.43Å; T351-F354 VanDerWaalsContact O-N 3.12Å; T351-F354 WeakPolarHBondContact OG1-CD2 3.34Å; T351-Q355 WeakPolarHBondContact O-CG 3.39Å; T351-Q355 PolarHBondContact O-N 2.66Å; T351-G481 PolarHBondContact N-O 2.81Å; T351-E483 HydrophobicContact CG2-CB 4.33Å
352	K	97.1	Very high	94.4	Very high	106 Å²	106	63 Å²	63	46%	0.461	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-24.1	-176.9	-60.2	-60.8	173.1	-102.1	0	114.2	K356 E483	K352-K356 WeakPolarHBondContact O-CE 3.3Å; K352-K356 VanDerWaalsContact O-CG 3.25Å; K352-K356 WeakPolarHBondContact O-CG 3.49Å; K352-K356 PolarHBondContact O-N 3.13Å; K352-E483 IonicContact NZ-OE1 2.71Å; K352-E483 IonicContact NZ-OE2 2.8Å; K352-E483 PolarHBondContact NZ-OE2 3.09Å
353	D	97.3	Very high	93.6	Very high	98 Å²	98	66.2 Å²	66.2	52%	0.524	34%	0.339	S	S	.	.	H	α-helix	trans	-78.3	-42.9	175.6	-63	-30.9	0	0	0	111.1	T351 Q355 K356 E357	T351-D353 PolarHBondContact O-N 3.14Å; T351-D353 VanDerWaalsContact O-N 3.12Å; D353-Q355 VanDerWaalsContact C-N 3.29Å; D353-Q355 PolarHBondContact O-N 3.29Å; D353-K356 WeakPolarHBondContact O-CB 3.36Å; D353-K356 PolarHBondContact O-N 3.45Å; D353-K356 VanDerWaalsContact O-N 3.1Å; D353-K356 IonicContact OD1-NZ 2.67Å; D353-K356 PolarHBondContact OD1-NZ 3.3Å; D353-E357 WeakPolarHBondContact O-CG 3.38Å; D353-E357 PolarHBondContact O-N 2.96Å
354	F	97.3	Very high	93	Very high	28 Å²	28	69.3 Å²	69.3	12%	0.123	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-34.6	173.5	-82.6	-119.6	0	0	0	112.4	P174 H176 L177 Y335 L350 T351 S358 G481	P174-F354 HydrophobicContact CB-CD1 4.04Å; P174-F354 HydrophobicContact CB-CE1 4.02Å; P174-F354 HydrophobicContact CG-CD1 3.93Å; P174-F354 HydrophobicContact CG-CE1 3.86Å; H176-F354 AromaticContact CE1-CD1 3.64Å; H176-F354 AromaticContact CE1-CE1 3.76Å; H176-F354 AromaticContact NE2-CE1 3.86Å; H176-F354 AromaticContact NE2-CZ 3.97Å; L177-F354 HydrophobicContact CD1-CE1 3.98Å; L177-F354 HydrophobicContact CD1-CZ 4.27Å; L177-F354 HydrophobicContact CG-CE1 4.49Å; Y335-F354 WeakPolarHBondContact OH-CE1 3.43Å; L350-F354 HydrophobicContact CB-CB 4Å; L350-F354 HydrophobicContact CD1-CB 4.41Å; L350-F354 HydrophobicContact CD2-CB 4.39Å; L350-F354 HydrophobicContact CD2-CD1 4.39Å; L350-F354 HydrophobicContact CG-CB 4.49Å; T351-F354 PolarHBondContact O-N 3.43Å; T351-F354 VanDerWaalsContact O-N 3.12Å; T351-F354 WeakPolarHBondContact OG1-CD2 3.34Å; F354-S358 PolarHBondContact O-N 3.1Å; F354-S358 VanDerWaalsContact O-N 3.09Å; F354-G481 VanDerWaalsContact CE1-CA 3.47Å
355	Q	95.1	Very high	92.1	Very high	48 Å²	48	68.3 Å²	68.3	22%	0.224	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-43.1	171.6	-69.5	177.7	16.8	0	0	112	L350 T351 D353 L359	L350-Q355 HydrophobicContact CB-CG 4.04Å; L350-Q355 PolarHBondContact O-NE2 2.95Å; T351-Q355 WeakPolarHBondContact O-CG 3.39Å; T351-Q355 PolarHBondContact O-N 2.66Å; D353-Q355 VanDerWaalsContact C-N 3.29Å; D353-Q355 PolarHBondContact O-N 3.29Å; Q355-L359 WeakPolarHBondContact O-CB 3.23Å; Q355-L359 VanDerWaalsContact O-CG 3.27Å; Q355-L359 WeakPolarHBondContact O-CG 3.44Å; Q355-L359 PolarHBondContact O-N 3.13Å; Q355-L359 VanDerWaalsContact O-N 3.08Å
356	K	95.6	Very high	91	Very high	124 Å²	124	67.8 Å²	67.8	54%	0.539	34%	0.338	S	S	.	.	H	α-helix	trans	-63.4	-47.1	176.5	-69.1	162.6	-160	162.1	0	111.7	K352 D353 S358 L359 S360	K352-K356 WeakPolarHBondContact O-CE 3.3Å; K352-K356 VanDerWaalsContact O-CG 3.25Å; K352-K356 WeakPolarHBondContact O-CG 3.49Å; K352-K356 PolarHBondContact O-N 3.13Å; D353-K356 WeakPolarHBondContact O-CB 3.36Å; D353-K356 PolarHBondContact O-N 3.45Å; D353-K356 VanDerWaalsContact O-N 3.1Å; D353-K356 IonicContact OD1-NZ 2.67Å; D353-K356 PolarHBondContact OD1-NZ 3.3Å; K356-S358 PolarHBondContact O-N 3.04Å; K356-L359 PolarHBondContact O-N 3.19Å; K356-S360 PolarHBondContact O-N 3.07Å
357	E	94.9	Very high	90	Very high	92 Å²	92	68.2 Å²	68.2	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-57.8	-48.5	178.9	-67.7	-63.7	164.1	0	0	110.8	H176 D353 L359 S360 M361	H176-E357 HydrophobicContact CB-CB 4.35Å; H176-E357 WeakPolarHBondContact ND1-CB 3.19Å; D353-E357 WeakPolarHBondContact O-CG 3.38Å; D353-E357 PolarHBondContact O-N 2.96Å; E357-L359 VanDerWaalsContact C-N 3.33Å; E357-L359 PolarHBondContact O-N 2.8Å; E357-S360 PolarHBondContact O-N 2.92Å; E357-M361 VanDerWaalsContact O-CG 3.31Å; E357-M361 WeakPolarHBondContact O-CG 3.04Å; E357-M361 PolarHBondContact O-N 2.8Å; E357-M361 VanDerWaalsContact O-N 3.1Å
358	S	92.1	Very high	88.4	Confident	35 Å²	35	67.8 Å²	67.8	25%	0.245	34%	0.344	C	S	.	.	H	α-helix	trans	-60	-41.9	177.1	-171.1	0	0	0	0	112.5	R175 F354 K356 D362	R175-S358 PolarHBondContact NH2-O 2.98Å; R175-S358 PolarHBondContact NH2-OG 2.79Å; F354-S358 PolarHBondContact O-N 3.1Å; F354-S358 VanDerWaalsContact O-N 3.09Å; K356-S358 PolarHBondContact O-N 3.04Å; S358-D362 VanDerWaalsContact O-CG 3.23Å; S358-D362 PolarHBondContact O-N 3.43Å; S358-D362 VanDerWaalsContact O-OD2 3.08Å
359	L	89.7	Confident	86.6	Confident	97 Å²	97	72 Å²	72	51%	0.508	36%	0.36	S	S	.	.	H	α-helix	trans	-66.6	-38.1	178.4	-72.5	169.2	0	0	0	112.5	Q355 K356 E357 D362 M363	Q355-L359 WeakPolarHBondContact O-CB 3.23Å; Q355-L359 VanDerWaalsContact O-CG 3.27Å; Q355-L359 WeakPolarHBondContact O-CG 3.44Å; Q355-L359 PolarHBondContact O-N 3.13Å; Q355-L359 VanDerWaalsContact O-N 3.08Å; K356-L359 PolarHBondContact O-N 3.19Å; E357-L359 VanDerWaalsContact C-N 3.33Å; E357-L359 PolarHBondContact O-N 2.8Å; L359-D362 PolarHBondContact O-N 2.85Å; L359-M363 WeakPolarHBondContact O-CG 3.39Å; L359-M363 PolarHBondContact O-N 3.15Å
360	S	90.4	Very high	84.6	Confident	54 Å²	54	75.6 Å²	75.6	38%	0.378	39%	0.387	S	S	.	.	H	α-helix	trans	-61	-49.5	175.9	-162.5	0	0	0	0	110.7	K356 E357 D362 M363 E364	K356-S360 PolarHBondContact O-N 3.07Å; E357-S360 PolarHBondContact O-N 2.92Å; S360-D362 VanDerWaalsContact C-N 3.32Å; S360-D362 PolarHBondContact O-N 3.38Å; S360-M363 WeakPolarHBondContact O-CB 3.27Å; S360-M363 PolarHBondContact O-N 3.11Å; S360-M363 VanDerWaalsContact O-N 3.1Å; S360-E364 PolarHBondContact O-N 3.4Å; S360-E364 PolarHBondContact OG-OE1 3.25Å
361	M	87	Confident	82.1	Confident	16 Å²	16	77.1 Å²	77.1	8%	0.079	41%	0.407	C	S	.	.	H	α-helix	trans	-62.3	-38.7	178.1	-61	179.1	84.9	0	0	112.2	R175 H176 E179 E357 M363 E364 L365	R175-M361 HydrophobicContact CB-CE 3.46Å; R175-M361 VanDerWaalsContact CB-CE 3.46Å; R175-M361 HydrophobicContact CB-SD 3.62Å; H176-M361 HydrophobicContact CB-SD 3.83Å; H176-M361 PolarHBondContact N-SD 3.22Å; H176-M361 VanDerWaalsContact N-SD 3.42Å; E179-M361 HydrophobicContact CG-CE 4.28Å; E179-M361 WeakPolarHBondContact OE1-CE 3.49Å; E179-M361 WeakPolarHBondContact OE2-CE 3.33Å; E357-M361 VanDerWaalsContact O-CG 3.31Å; E357-M361 WeakPolarHBondContact O-CG 3.04Å; E357-M361 PolarHBondContact O-N 2.8Å; E357-M361 VanDerWaalsContact O-N 3.1Å; M361-M363 VanDerWaalsContact C-N 3.32Å; M361-M363 PolarHBondContact O-N 3.48Å; M361-E364 PolarHBondContact O-N 3.16Å; M361-L365 WeakPolarHBondContact O-CB 3.3Å; M361-L365 WeakPolarHBondContact O-CD1 3.27Å; M361-L365 WeakPolarHBondContact O-CG 2.9Å; M361-L365 PolarHBondContact O-N 2.99Å
362	D	82.6	Confident	79.5	Confident	19 Å²	19	82.9 Å²	82.9	10%	0.102	44%	0.436	C	S	.	.	H	α-helix	trans	-65.3	-34.9	175.3	-71.1	-32.8	0	0	0	112.3	R175 S358 L359 S360 N366 P395	R175-D362 IonicContact CZ-OD1 2.73Å; R175-D362 VanDerWaalsContact CZ-OD1 3.23Å; R175-D362 IonicContact NH1-OD1 3.78Å; R175-D362 PolarHBondContact NH1-OD1 3.44Å; R175-D362 IonicContact NH2-OD1 3.23Å; R175-D362 PolarHBondContact NH2-OD1 3.15Å; R175-D362 IonicContact NH2-OD2 3.33Å; R175-D362 PolarHBondContact NH2-OD2 3.48Å; R175-D362 VanDerWaalsContact NH2-OD2 3.16Å; S358-D362 VanDerWaalsContact O-CG 3.23Å; S358-D362 PolarHBondContact O-N 3.43Å; S358-D362 VanDerWaalsContact O-OD2 3.08Å; L359-D362 PolarHBondContact O-N 2.85Å; S360-D362 VanDerWaalsContact C-N 3.32Å; S360-D362 PolarHBondContact O-N 3.38Å; D362-N366 PolarHBondContact O-N 3.23Å; D362-N366 PolarHBondContact O-ND2 2.67Å; D362-P395 WeakPolarHBondContact OD2-CG 3.48Å
363	M	81.6	Confident	76.7	Confident	119 Å²	119	80.5 Å²	80.5	59%	0.586	44%	0.442	S	S	*	.	H	α-helix	trans	-68	-49.3	174.1	-72.4	179.4	59.7	0	0	111.8	L359 S360 M361 L365 N366 E367	L359-M363 WeakPolarHBondContact O-CG 3.39Å; L359-M363 PolarHBondContact O-N 3.15Å; S360-M363 WeakPolarHBondContact O-CB 3.27Å; S360-M363 PolarHBondContact O-N 3.11Å; S360-M363 VanDerWaalsContact O-N 3.1Å; M361-M363 VanDerWaalsContact C-N 3.32Å; M361-M363 PolarHBondContact O-N 3.48Å; M363-L365 VanDerWaalsContact C-N 3.29Å; M363-L365 PolarHBondContact O-N 3.13Å; M363-N366 PolarHBondContact O-N 3.48Å; M363-N366 VanDerWaalsContact O-N 3.09Å; M363-E367 PolarHBondContact O-N 3.22Å
364	E	81.9	Confident	74.1	Confident	113 Å²	113	83.6 Å²	83.6	53%	0.528	46%	0.459	S	S	.	.	H	α-helix	trans	-57.4	-40.8	177.8	-70.5	173.7	-146.8	0	0	112.3	S360 M361 E367 L368	S360-E364 PolarHBondContact O-N 3.4Å; S360-E364 PolarHBondContact OG-OE1 3.25Å; M361-E364 PolarHBondContact O-N 3.16Å; E364-E367 PolarHBondContact O-N 2.65Å; E364-L368 WeakPolarHBondContact O-CG 3.41Å; E364-L368 PolarHBondContact O-N 2.81Å; E364-L368 VanDerWaalsContact O-N 3.09Å
365	L	74.4	Confident	71.2	Confident	53 Å²	53	91.2 Å²	91.2	28%	0.277	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-40.5	175.7	-71.7	169	0	0	0	112.6	M361 M363 L368 E369 N387	M361-L365 WeakPolarHBondContact O-CB 3.3Å; M361-L365 WeakPolarHBondContact O-CD1 3.27Å; M361-L365 WeakPolarHBondContact O-CG 2.9Å; M361-L365 PolarHBondContact O-N 2.99Å; M363-L365 VanDerWaalsContact C-N 3.29Å; M363-L365 PolarHBondContact O-N 3.13Å; L365-L368 PolarHBondContact O-N 3.3Å; L365-E369 PolarHBondContact O-N 3.09Å; L365-N387 WeakPolarHBondContact CD2-ND2 3.06Å
366	N	72.1	Confident	68.6	Low	67 Å²	67	98.5 Å²	98.5	36%	0.358	53%	0.529	S	S	.	.	H	α-helix	trans	-70.3	-32	177.8	-70.1	-42.7	0	0	0	112.3	D362 M363 E369 S370 R389	D362-N366 PolarHBondContact O-N 3.23Å; D362-N366 PolarHBondContact O-ND2 2.67Å; M363-N366 PolarHBondContact O-N 3.48Å; M363-N366 VanDerWaalsContact O-N 3.09Å; N366-E369 PolarHBondContact O-N 3.24Å; N366-S370 WeakPolarHBondContact O-CB 3.32Å; N366-S370 PolarHBondContact O-N 2.9Å; N366-S370 VanDerWaalsContact O-N 3.12Å; N366-S370 PolarHBondContact O-OG 2.73Å; N366-R389 PolarHBondContact OD1-NH2 3.2Å; N366-R389 VanDerWaalsContact OD1-NH2 3.16Å
367	E	73.4	Confident	65.8	Low	131 Å²	131	95.1 Å²	95.1	61%	0.612	53%	0.529	S	S	*	.	H	α-helix	trans	-65.9	-41.7	171.7	-71	-176.5	-175.8	0	0	111.4	M363 E364 E369 S370 G371	M363-E367 PolarHBondContact O-N 3.22Å; E364-E367 PolarHBondContact O-N 2.65Å; E367-E369 VanDerWaalsContact C-N 3.32Å; E367-E369 PolarHBondContact O-N 3.33Å; E367-S370 WeakPolarHBondContact CA-OG 3.32Å; E367-S370 PolarHBondContact O-N 2.8Å; E367-S370 PolarHBondContact O-OG 2.85Å; E367-G371 PolarHBondContact O-N 2.74Å
368	L	62.5	Low	63.2	Low	130 Å²	130	97.3 Å²	97.3	68%	0.681	55%	0.548	S	S	*	.	H	α-helix	trans	-65.3	-30.5	174.7	-71.6	166.9	0	0	0	113.7	E364 L365	E364-L368 WeakPolarHBondContact O-CG 3.41Å; E364-L368 PolarHBondContact O-N 2.81Å; E364-L368 VanDerWaalsContact O-N 3.09Å; L365-L368 PolarHBondContact O-N 3.3Å
369	E	58.8	Low	60.8	Low	115 Å²	115	102.4 Å²	102.4	54%	0.537	57%	0.573	S	S	.	*	H	α-helix	trans	-77.8	-28.9	174.9	-75.1	-173.2	164.9	0	0	113.3	L365 N366 E367 R389	L365-E369 PolarHBondContact O-N 3.09Å; N366-E369 PolarHBondContact O-N 3.24Å; E367-E369 VanDerWaalsContact C-N 3.32Å; E367-E369 PolarHBondContact O-N 3.33Å; E369-R389 IonicContact OE2-NH2 3.09Å
370	S	56.9	Low	58.3	Low	91 Å²	91	106.2 Å²	106.2	64%	0.636	58%	0.58	S	S	*	*	H	α-helix	trans	-93.2	-17.6	-176	52.7	0	0	0	0	114.5	N366 E367 N372	N366-S370 WeakPolarHBondContact O-CB 3.32Å; N366-S370 PolarHBondContact O-N 2.9Å; N366-S370 VanDerWaalsContact O-N 3.12Å; N366-S370 PolarHBondContact O-OG 2.73Å; E367-S370 WeakPolarHBondContact CA-OG 3.32Å; E367-S370 PolarHBondContact O-N 2.8Å; E367-S370 PolarHBondContact O-OG 2.85Å; S370-N372 PolarHBondContact O-N 2.82Å
371	G	45	Very low	55.6	Low	49 Å²	49	111 Å²	111	51%	0.505	60%	0.597	S	S	.	*			trans	-73.3	77.7	177.7	0	0	0	0	0	115.1	E367	E367-G371 PolarHBondContact O-N 2.74Å
372	N	43.3	Very low	53.1	Low	155 Å²	155	113.1 Å²	113.1	83%	0.829	62%	0.617	S	S	*	*			trans	-100.2	102.6	171.8	-136.9	33.1	0	0	0	110.3	S370	S370-N372 PolarHBondContact O-N 2.82Å
373	G	38.6	Very low	50.8	Low	57 Å²	57	121.9 Å²	121.9	59%	0.588	65%	0.649	S	S	*	*			trans	177.4	105.1	178.7	0	0	0	0	0	112.3
374	D	42.2	Very low	48.6	Very low	163 Å²	163	124.5 Å²	124.5	87%	0.872	65%	0.652	S	S	*	*			trans	29	100.8	157.1	-50.8	-24.6	0	0	0	119.6
375	E	37.6	Very low	46.5	Very low	187 Å²	187	125.3 Å²	125.3	87%	0.874	66%	0.657	S	S	*	*				-177.6	159.5	122.8	-101.7	179.7	-171.2	0	0	111.7
376	E	41	Very low	44.8	Very low	202 Å²	202	127.3 Å²	127.3	94%	0.944	67%	0.668	S	S	*	*			trans	-71.3	149.1	-169.9	-59.9	-173.9	151.9	0	0	114.3
377	G	35.6	Very low	43.4	Very low	52 Å²	52	128 Å²	128	54%	0.536	67%	0.672	S	S	.	*			trans	165.8	110.4	167.9	0	0	0	0	0	115.3	D379 R380	G377-D379 PolarHBondContact O-N 3.09Å; G377-D379 VanDerWaalsContact O-N 3.08Å; G377-R380 PolarHBondContact O-N 3.05Å
378	V	40.8	Very low	41.8	Very low	139 Å²	139	128.3 Å²	128.3	84%	0.842	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-19.6	-178.7	-179.1	0	0	0	0	113.4	R380	V378-R380 VanDerWaalsContact C-N 3.35Å; V378-R380 PolarHBondContact O-N 2.66Å
379	D	40.9	Very low	40.8	Very low	141 Å²	141	127.1 Å²	127.1	75%	0.754	66%	0.658	S	S	*	*	H	α-helix	trans	-70.9	-19.4	177.7	-83	-38.6	0	0	0	115	G377 E381	G377-D379 PolarHBondContact O-N 3.09Å; G377-D379 VanDerWaalsContact O-N 3.08Å; D379-E381 PolarHBondContact O-N 3.11Å
380	R	38.2	Very low	39.8	Very low	177 Å²	177	122.1 Å²	122.1	67%	0.668	64%	0.636	S	S	*	*	H	α-helix	trans	-68.8	-34.1	-177.8	-81.7	-169.8	176.1	-161.9	2.6	113.2	G377 V378 A382 R383 R384	G377-R380 PolarHBondContact O-N 3.05Å; V378-R380 VanDerWaalsContact C-N 3.35Å; V378-R380 PolarHBondContact O-N 2.66Å; R380-A382 PolarHBondContact O-N 2.8Å; R380-R383 PolarHBondContact O-N 3.35Å; R380-R384 WeakPolarHBondContact O-CB 3.43Å; R380-R384 PolarHBondContact O-N 3.26Å
381	E	33.1	Very low	39	Very low	155 Å²	155	123.3 Å²	123.3	72%	0.724	64%	0.639	S	S	*	*	H	α-helix	trans	-66.2	-36	-178.9	-93.3	-174.3	148.5	0	0	113.1	D379 R383 R384 M385	D379-E381 PolarHBondContact O-N 3.11Å; E381-R383 VanDerWaalsContact C-N 3.34Å; E381-R383 PolarHBondContact O-N 2.98Å; E381-R384 PolarHBondContact O-N 2.85Å; E381-M385 PolarHBondContact O-N 3Å; E381-M385 VanDerWaalsContact O-N 3.13Å
382	A	33.9	Very low	38.7	Very low	61 Å²	61	123.1 Å²	123.1	50%	0.504	63%	0.626	S	S	.	*	H	α-helix	trans	-62.3	-40.4	178.4	0	0	0	0	0	112.2	R380	R380-A382 PolarHBondContact O-N 2.8Å
383	R	36	Very low	38.4	Very low	202 Å²	202	117.2 Å²	117.2	76%	0.762	60%	0.595	S	S	*	*	H	α-helix	trans	-72.4	-38.4	174.1	-74.4	-175.7	171.8	-172.1	-4.4	112.5	R380 E381 M385 N386	R380-R383 PolarHBondContact O-N 3.35Å; E381-R383 VanDerWaalsContact C-N 3.34Å; E381-R383 PolarHBondContact O-N 2.98Å; R383-M385 PolarHBondContact O-N 2.9Å; R383-N386 PolarHBondContact O-N 2.74Å
384	R	33.9	Very low	38	Very low	175 Å²	175	115.3 Å²	115.3	66%	0.66	57%	0.573	S	S	*	*	H	α-helix	trans	-64.2	-28.8	-178.6	-140	176.9	-167.6	177.1	5.9	112.9	R380 E381	R380-R384 WeakPolarHBondContact O-CB 3.43Å; R380-R384 PolarHBondContact O-N 3.26Å; E381-R384 PolarHBondContact O-N 2.85Å
385	M	38.3	Very low	37.6	Very low	129 Å²	129	110.4 Å²	110.4	64%	0.635	55%	0.55	S	S	*	*	H	α-helix	trans	-84	-25.8	-177.8	-156.7	128.3	81.8	0	0	114.2	E381 R383 N387	E381-M385 PolarHBondContact O-N 3Å; E381-M385 VanDerWaalsContact O-N 3.13Å; R383-M385 PolarHBondContact O-N 2.9Å; M385-N387 PolarHBondContact O-N 3.02Å
386	N	39	Very low	37.4	Very low	95 Å²	95	105.4 Å²	105.4	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-70	-17.9	173.4	-80.3	7.2	0	0	0	113.3	Q158 R383	Q158-N386 PolarHBondContact NE2-OD1 3.37Å; R383-N386 PolarHBondContact O-N 2.74Å
387	N	43.3	Very low	37	Very low	82 Å²	82	98.8 Å²	98.8	44%	0.439	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	23.1	-168.3	-71.2	2.9	0	0	0	114.5	L365 M385 R389	L365-N387 WeakPolarHBondContact CD2-ND2 3.06Å; M385-N387 PolarHBondContact O-N 3.02Å; N387-R389 PolarHBondContact O-N 3.38Å
388	K	39.1	Very low	37.1	Very low	137 Å²	137	101.7 Å²	101.7	60%	0.596	52%	0.515	S	S	*	.			trans	-73.2	99.6	176.8	-73.5	-179.1	179.6	171.5	0	110.4	S390	K388-S390 PolarHBondContact O-N 3.46Å
389	R	41.8	Very low	36.7	Very low	105 Å²	105	97.8 Å²	97.8	40%	0.396	50%	0.503	S	S	.	.			trans	-39.5	131.2	179.6	-74.8	177.4	176.8	172.8	6.8	113.6	F165 N366 E369 N387 S394	F165-R389 VanDerWaalsContact CE1-O 3.27Å; F165-R389 WeakPolarHBondContact CE1-O 3.37Å; N366-R389 PolarHBondContact OD1-NH2 3.2Å; N366-R389 VanDerWaalsContact OD1-NH2 3.16Å; E369-R389 IonicContact OE2-NH2 3.09Å; N387-R389 PolarHBondContact O-N 3.38Å; R389-S394 PolarHBondContact NH1-OG 3.21Å
390	S	37.3	Very low	36.1	Very low	11 Å²	11	96.8 Å²	96.8	8%	0.077	50%	0.502	C	S	.	.			trans	-77	154.7	153.6	-174.2	0	0	0	0	110.2	F165 N171 K388 L392 T393	F165-S390 PolarHBondContact O-OG 2.97Å; N171-S390 WeakPolarHBondContact OD1-CB 3.26Å; N171-S390 PolarHBondContact OD1-OG 3.17Å; K388-S390 PolarHBondContact O-N 3.46Å; S390-L392 PolarHBondContact O-N 3.29Å; S390-L392 VanDerWaalsContact O-N 3.11Å; S390-T393 PolarHBondContact N-OG1 3.43Å; S390-T393 PolarHBondContact O-N 3.1Å; S390-T393 VanDerWaalsContact O-N 3.13Å; S390-T393 PolarHBondContact O-OG1 3.37Å
391	V	39.9	Very low	35.6	Very low	116 Å²	116	94.5 Å²	94.5	70%	0.703	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.7	176.3	179.8	0	0	0	0	111.3
392	L	39	Very low	35.4	Very low	45 Å²	45	94.4 Å²	94.4	24%	0.236	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.4	-179.2	-62.2	174.5	0	0	0	115	M172 R339 C343 S390	M172-L392 HydrophobicContact CE-CD1 4.17Å; R339-L392 PolarHBondContact NH2-O 2.89Å; C343-L392 HydrophobicContact CB-CD2 4.25Å; C343-L392 PolarHBondContact SG-O 2.79Å; S390-L392 PolarHBondContact O-N 3.29Å; S390-L392 VanDerWaalsContact O-N 3.11Å
393	T	36.1	Very low	34.9	Very low	30 Å²	30	97.7 Å²	97.7	18%	0.184	52%	0.516	C	S	.	.	S	Bend	trans	-113.2	6.3	-176	54.3	0	0	0	0	115.3	N171 S390	N171-T393 HydrophobicContact CB-CG2 4.1Å; N171-T393 WeakPolarHBondContact OD1-CG2 3.44Å; S390-T393 PolarHBondContact N-OG1 3.43Å; S390-T393 PolarHBondContact O-N 3.1Å; S390-T393 VanDerWaalsContact O-N 3.13Å; S390-T393 PolarHBondContact O-OG1 3.37Å
394	S	31.6	Very low	34.8	Very low	18 Å²	18	98.7 Å²	98.7	13%	0.126	52%	0.521	C	S	.	.			trans	-113.7	128	176.2	-172.6	0	0	0	0	113	R389 V396 A397	R389-S394 PolarHBondContact NH1-OG 3.21Å; S394-V396 PolarHBondContact O-N 2.91Å; S394-V396 PolarHBondContact OG-N 3.14Å; S394-V396 VanDerWaalsContact OG-N 3.16Å; S394-A397 PolarHBondContact O-N 2.97Å
395	P	33.6	Very low	34.5	Very low	60 Å²	60	98.4 Å²	98.4	39%	0.39	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-5.9	166.9	-19.9	32.1	0	0	0	114.1	D362	D362-P395 WeakPolarHBondContact OD2-CG 3.48Å
396	V	33.7	Very low	34.2	Very low	82 Å²	82	95.5 Å²	95.5	50%	0.497	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	28.8	-176.9	-157.6	0	0	0	0	111.6	S394 N398	S394-V396 PolarHBondContact O-N 2.91Å; S394-V396 PolarHBondContact OG-N 3.14Å; S394-V396 VanDerWaalsContact OG-N 3.16Å; V396-N398 PolarHBondContact O-N 2.85Å
397	A	32.2	Very low	33.8	Very low	62 Å²	62	99.7 Å²	99.7	51%	0.512	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.6	41.3	170.8	0	0	0	0	0	113.4	S394	S394-A397 PolarHBondContact O-N 2.97Å
398	N	36.7	Very low	33.1	Very low	113 Å²	113	99.5 Å²	99.5	60%	0.604	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.3	19.1	174.3	-119.4	-31.5	0	0	0	113.5	V396 R449	V396-N398 PolarHBondContact O-N 2.85Å; N398-R449 WeakPolarHBondContact OD1-CD 3.13Å; N398-R449 PolarHBondContact OD1-NH1 3.24Å
399	G	33	Very low	32.8	Very low	57 Å²	57	102.9 Å²	102.9	59%	0.588	59%	0.589	S	S	*	*			trans	-139.3	5.2	-171.8	0	0	0	0	0	117.7
400	V	28	Very low	32.2	Very low	120 Å²	120	102.5 Å²	102.5	73%	0.727	61%	0.608	S	S	*	*			trans	-90.3	112.5	173.4	-174.3	0	0	0	0	109.6	L402	V400-L402 PolarHBondContact O-N 3.22Å
401	N	27.3	Very low	31.8	Very low	129 Å²	129	107.9 Å²	107.9	69%	0.69	64%	0.644	S	S	*	*			trans	-66.3	110.7	165.7	-80.6	-8.6	0	0	0	109.2	D403	N401-D403 PolarHBondContact O-N 3.36Å
402	L	29.4	Very low	31.1	Very low	153 Å²	153	114.4 Å²	114.4	80%	0.801	66%	0.656	S	S	*	*			trans	-83.3	91.6	147.4	-80.2	165.2	0	0	0	106.4	V400 Y404	V400-L402 PolarHBondContact O-N 3.22Å; L402-Y404 VanDerWaalsContact C-N 3.34Å; L402-Y404 PolarHBondContact O-N 3.05Å
403	D	24.3	Very low	30.5	Very low	130 Å²	130	117.3 Å²	117.3	70%	0.695	68%	0.68	S	S	*	*			trans	-63.9	95	173.6	-76.2	-26	0	0	0	109	N401 D405	N401-D403 PolarHBondContact O-N 3.36Å; D403-D405 PolarHBondContact O-N 3.02Å
404	Y	32.4	Very low	30	Very low	223 Å²	223	123.5 Å²	123.5	88%	0.875	71%	0.712	S	S	*	*			trans	-80.7	46	-176.2	-135	-82	0	0	0	112.1	L402	L402-Y404 VanDerWaalsContact C-N 3.34Å; L402-Y404 PolarHBondContact O-N 3.05Å
405	D	29	Very low	30	Very low	169 Å²	169	127.4 Å²	127.4	90%	0.904	74%	0.737	S	S	*	*			trans	-141.7	48.8	-177.2	-115.4	-24.7	0	0	0	111.6	D403	D403-D405 PolarHBondContact O-N 3.02Å
406	G	32.2	Very low	29.5	Very low	68 Å²	68	129.9 Å²	129.9	70%	0.701	76%	0.756	S	S	*	*	S	Bend	trans	-130.4	-1.5	-171.4	0	0	0	0	0	117.2
407	L	28.9	Very low	29.2	Very low	184 Å²	184	134.7 Å²	134.7	96%	0.963	78%	0.777	S	S	*	*			trans	-140.6	46.4	-173.5	-101.5	140.3	0	0	0	113.5
408	G	29.4	Very low	28.9	Very low	77 Å²	77	140.7 Å²	140.7	79%	0.794	79%	0.792	S	S	*	*			trans	-113.2	18.4	-179.9	0	0	0	0	0	116.1
409	K	32.5	Very low	28.4	Very low	208 Å²	208	144.4 Å²	144.4	90%	0.904	80%	0.803	S	S	*	*			trans	-140.1	60	-173.8	-70.7	-172.9	-179.7	170.5	0	115.2
410	A	28.6	Very low	28	Very low	97 Å²	97	146.7 Å²	146.7	80%	0.802	81%	0.805	S	S	*	*	S	Bend	trans	-154.4	37.2	167.1	0	0	0	0	0	116.3
411	C	29.4	Very low	28	Very low	124 Å²	124	148.8 Å²	148.8	84%	0.838	81%	0.812	S	S	*	*			trans	-171.4	117.2	151.6	-123	0	0	0	0	113.4
412	R	26.4	Very low	28	Very low	253 Å²	253	147.7 Å²	147.7	96%	0.955	81%	0.814	S	S	*	*			trans	167.9	101.8	142.5	-93.4	158.7	-160.2	-122	4.6	109.5
413	S	25.2	Very low	27.9	Very low	106 Å²	106	143.5 Å²	143.5	74%	0.741	81%	0.808	S	S	*	*			trans	-94.7	146.9	166.1	44.1	0	0	0	0	110.2
414	L	26.2	Very low	28	Very low	160 Å²	160	144.4 Å²	144.4	84%	0.838	81%	0.813	S	S	*	*			trans	76.4	153.2	161.5	-62.1	161.4	0	0	0	116.6
415	P	31.6	Very low	27.9	Very low	101 Å²	101	138.1 Å²	138.1	66%	0.656	80%	0.801	S	S	*	*				-138.3	160.8	-84.8	32.9	-11.6	0	0	0	117
416	S	23.3	Very low	27.9	Very low	112 Å²	112	135.4 Å²	135.4	78%	0.783	80%	0.796	S	S	*	*			trans	49.5	112.9	144.4	-56.4	0	0	0	0	121.4
417	L	27	Very low	27.7	Very low	182 Å²	182	137.5 Å²	137.5	95%	0.953	80%	0.799	S	S	*	*			trans	-142	148.2	132.6	-124.4	119.8	0	0	0	111.7
418	K	26.3	Very low	27.6	Very low	188 Å²	188	135.3 Å²	135.3	82%	0.817	79%	0.789	S	S	*	*			trans	-99.1	170.7	-165.6	-71.1	177.3	171.9	176.6	0	113.2
419	K	26.8	Very low	27.5	Very low	191 Å²	191	136 Å²	136	83%	0.83	78%	0.781	S	S	*	*			trans	94.7	140.5	154.3	-60.6	-167.3	174.2	-179.4	0	116
420	T	24.4	Very low	27.3	Very low	105 Å²	105	132.7 Å²	132.7	64%	0.644	78%	0.779	S	S	*	*			cis	-170.2	148.6	-11	18.6	0	0	0	0	110.2
421	L	27	Very low	27.4	Very low	164 Å²	164	140 Å²	140	86%	0.859	79%	0.786	S	S	*	*			trans	61.6	154.2	145.9	-63.4	163	0	0	0	117.4
422	S	27.7	Very low	27.3	Very low	107 Å²	107	137.9 Å²	137.9	75%	0.748	79%	0.785	S	S	*	*			cis	-153.6	143.9	2.1	32.4	0	0	0	0	107
423	G	27.2	Very low	27.4	Very low	65 Å²	65	131.2 Å²	131.2	67%	0.67	78%	0.777	S	S	*	*				81.5	147.1	90.3	0	0	0	0	0	112.2
424	D	25.7	Very low	27.7	Very low	149 Å²	149	135.6 Å²	135.6	80%	0.797	79%	0.785	S	S	*	*			cis	-175.6	161.5	-2.8	-102.5	-67.7	0	0	0	106.6
425	S	31.3	Very low	27.9	Very low	90 Å²	90	136.2 Å²	136.2	63%	0.629	79%	0.79	S	S	*	*			cis	-173.7	163.6	-15.2	-120.9	0	0	0	0	109.7
426	S	28.1	Very low	27.8	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	79%	0.793	S	S	*	*			trans	62.7	154.9	159.7	63.8	0	0	0	0	118.5
427	S	29.6	Very low	28.2	Very low	112 Å²	112	138.9 Å²	138.9	78%	0.783	80%	0.8	S	S	*	*			cis	-174.4	171.2	8.5	26.7	0	0	0	0	107.6
428	D	27.1	Very low	28.3	Very low	138 Å²	138	136.5 Å²	136.5	74%	0.738	79%	0.792	S	S	*	*			cis	-177.4	168.3	-22	173.7	55.6	0	0	0	107.8
429	S	27.1	Very low	28.3	Very low	91 Å²	91	139.2 Å²	139.2	64%	0.636	80%	0.798	S	S	*	*			trans	66.8	149.8	170	-65.2	0	0	0	0	115.7
430	T	28.6	Very low	28.2	Very low	140 Å²	140	136.5 Å²	136.5	86%	0.859	79%	0.792	S	S	*	*			cis	-153.4	165.5	13.3	-19.5	0	0	0	0	110.8
431	R	29.9	Very low	28.8	Very low	251 Å²	251	137.1 Å²	137.1	95%	0.947	80%	0.798	S	S	*	*			trans	-71.6	147	172.1	-77.5	172.2	158.6	164.3	-7.6	113.1
432	G	26.8	Very low	28.9	Very low	79 Å²	79	137.3 Å²	137.3	81%	0.814	80%	0.795	S	S	*	*			trans	-174.2	103.7	162.9	0	0	0	0	0	113.4
433	S	28.9	Very low	28.9	Very low	113 Å²	113	138 Å²	138	79%	0.79	80%	0.799	S	S	*	*			trans	-80	129.1	169.6	-61.1	0	0	0	0	110.3
434	H	31.3	Very low	29	Very low	197 Å²	197	139.4 Å²	139.4	91%	0.912	80%	0.798	S	S	*	*			trans	-155.1	146.3	147.8	-87.4	-50.4	0	0	0	111.6
435	N	30.5	Very low	29.6	Very low	174 Å²	174	138 Å²	138	93%	0.93	80%	0.797	S	S	*	*			trans	-65.3	138.4	175.9	-72.8	-19.2	0	0	0	111.2
436	G	29.4	Very low	30.1	Very low	71 Å²	71	142.9 Å²	142.9	73%	0.732	81%	0.807	S	S	*	*			trans	-163.5	106.9	167.6	0	0	0	0	0	110.3	V438	G436-V438 PolarHBondContact O-N 2.86Å
437	Q	32.4	Very low	30.9	Very low	197 Å²	197	147 Å²	147	92%	0.921	81%	0.81	S	S	*	*			trans	-70.1	121.7	171.8	-69.8	171.3	-69.1	0	0	109.3
438	V	27.9	Very low	32.1	Very low	132 Å²	132	149.2 Å²	149.2	80%	0.8	81%	0.814	S	S	*	*			trans	-131.5	116.7	157.4	-179.8	0	0	0	0	106.6	G436 D440	G436-V438 PolarHBondContact O-N 2.86Å; V438-D440 PolarHBondContact O-N 3.41Å
439	W	25.8	Very low	33.8	Very low	246 Å²	246	150.8 Å²	150.8	93%	0.932	81%	0.809	S	S	*	*			trans	-71.2	123.1	167.1	-80.3	-41.5	0	0	0	108.5	P441	W439-P441 WeakPolarHBondContact O-CD 3.3Å
440	D	25.7	Very low	36.4	Very low	133 Å²	133	153.8 Å²	153.8	71%	0.711	81%	0.813	S	S	*	*			trans	-108.7	100.2	170.7	-159.8	-6.3	0	0	0	109.3	V438 Q442	V438-D440 PolarHBondContact O-N 3.41Å; D440-Q442 VanDerWaalsContact C-N 3.28Å; D440-Q442 PolarHBondContact O-N 3.42Å
441	P	37.4	Very low	39.3	Very low	119 Å²	119	150.7 Å²	150.7	77%	0.773	79%	0.794	S	S	*	*			trans	-85.1	66.9	-173.9	35.4	-35.5	0	0	0	111.1	W439	W439-P441 WeakPolarHBondContact O-CD 3.3Å
442	Q	29.3	Very low	42.4	Very low	167 Å²	167	146.2 Å²	146.2	78%	0.78	78%	0.784	S	S	*	*			trans	-115.8	68.4	166	-68.9	-164.9	-2.4	0	0	111.1	D440 S444	D440-Q442 VanDerWaalsContact C-N 3.28Å; D440-Q442 PolarHBondContact O-N 3.42Å; Q442-S444 PolarHBondContact O-N 3.3Å
443	C	27.9	Very low	45.7	Very low	123 Å²	123	144.6 Å²	144.6	83%	0.831	76%	0.756	S	S	*	*			trans	-67	93	155.1	-165	0	0	0	0	107.4
444	S	29.2	Very low	48.9	Very low	93 Å²	93	140.4 Å²	140.4	65%	0.65	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-51.5	131.2	170	54.2	0	0	0	0	108.7	Q442 K446	Q442-S444 PolarHBondContact O-N 3.3Å; S444-K446 PolarHBondContact O-N 3.13Å; S444-K446 VanDerWaalsContact O-N 3.17Å
445	P	37.9	Very low	52.1	Low	121 Å²	121	136.8 Å²	136.8	79%	0.786	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-55.8	128.5	-179.6	23.6	-33	0	0	0	108.6	K447	P445-K447 PolarHBondContact O-N 3.43Å
446	K	41.2	Very low	55.3	Low	192 Å²	192	129.6 Å²	129.6	84%	0.835	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-52.9	118.8	170.9	-69.2	180	178.6	179.5	0	106.1	S444 D448	S444-K446 PolarHBondContact O-N 3.13Å; S444-K446 VanDerWaalsContact O-N 3.17Å; K446-D448 PolarHBondContact O-N 3.46Å; K446-D448 VanDerWaalsContact O-N 3.14Å
447	K	44.6	Very low	58.6	Low	197 Å²	197	126.9 Å²	126.9	86%	0.857	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-49.2	125.3	172.7	-89.3	-176.9	170.9	-178.8	0	107.7	P445 R449	P445-K447 PolarHBondContact O-N 3.43Å; K447-R449 PolarHBondContact O-N 3.41Å
448	D	55.8	Low	61.7	Low	160 Å²	160	122.3 Å²	122.3	86%	0.856	62%	0.619	S	S	*	*			trans	-52.8	113.7	171.3	-70.3	-49.3	0	0	0	108.1	K446 Q450	K446-D448 PolarHBondContact O-N 3.46Å; K446-D448 VanDerWaalsContact O-N 3.14Å; D448-Q450 VanDerWaalsContact C-N 3.32Å; D448-Q450 PolarHBondContact O-N 3.11Å
449	R	61.8	Low	65	Low	170 Å²	170	121 Å²	121	64%	0.642	60%	0.604	S	S	*	*			trans	-76.7	91.6	179.2	-105	178.8	155.5	-178.7	-5.1	107	N398 K447 V451	N398-R449 WeakPolarHBondContact OD1-CD 3.13Å; N398-R449 PolarHBondContact OD1-NH1 3.24Å; K447-R449 PolarHBondContact O-N 3.41Å; R449-V451 PolarHBondContact O-N 2.91Å
450	Q	81	Confident	68.5	Low	155 Å²	155	109.2 Å²	109.2	72%	0.724	56%	0.56	S	S	*	*			trans	-57	122.4	174.9	-170.1	171.2	17.3	0	0	109.7	D448	D448-Q450 VanDerWaalsContact C-N 3.32Å; D448-Q450 PolarHBondContact O-N 3.11Å
451	V	91.2	Very high	71.9	Confident	74 Å²	74	103.8 Å²	103.8	45%	0.448	53%	0.53	S	S	.	.			trans	-80.8	135.3	174.4	-178.9	0	0	0	0	108.6	I344 R449 L453	I344-V451 HydrophobicContact CG1-CB 4.32Å; I344-V451 HydrophobicContact CG1-CG1 4.22Å; I344-V451 HydrophobicContact CG1-CG2 4.33Å; I344-V451 HydrophobicContact CG2-CB 4.29Å; I344-V451 HydrophobicContact CG2-CG2 4.26Å; R449-V451 PolarHBondContact O-N 2.91Å; V451-L453 HydrophobicContact CG1-CD2 4.14Å
452	H	93.8	Very high	74.8	Confident	158 Å²	158	106.5 Å²	106.5	73%	0.731	53%	0.525	S	S	*	.			trans	-109.4	110	175.7	-65.8	-75.2	0	0	0	109.3
453	L	95.7	Very high	78.1	Confident	44 Å²	44	100.3 Å²	100.3	23%	0.23	50%	0.5	C	S	.	.			trans	-85.5	154.9	174.6	-62.7	-176.4	0	0	0	111.2	Y340 I344 V451 E457 L458 L461	Y340-L453 HydrophobicContact CD1-CD1 4.21Å; Y340-L453 HydrophobicContact CD1-CD2 4.38Å; Y340-L453 HydrophobicContact CE1-CD1 4.21Å; Y340-L453 HydrophobicContact CE1-CD2 3.92Å; I344-L453 HydrophobicContact CD1-CD1 3.97Å; I344-L453 HydrophobicContact CD1-CD2 4.2Å; I344-L453 HydrophobicContact CD1-CG 4.32Å; V451-L453 HydrophobicContact CG1-CD2 4.14Å; L453-E457 HydrophobicContact CB-CB 4.34Å; L453-L458 HydrophobicContact CB-CD2 4.08Å; L453-L458 HydrophobicContact CB-CG 3.99Å; L453-L458 HydrophobicContact CD1-CD2 4.02Å; L453-L461 HydrophobicContact CD1-CD1 3.81Å
454	T	97.6	Very high	81.5	Confident	26 Å²	26	94.5 Å²	94.5	16%	0.16	46%	0.46	C	S	.	.			trans	-71.8	155.9	170.8	65.8	0	0	0	0	111	Q68 F303 F456 E457 L458	Q68-T454 HydrophobicContact CB-CG2 3.85Å; Q68-T454 HydrophobicContact CG-CG2 4.08Å; F303-T454 HydrophobicContact CE1-CG2 4.19Å; T454-F456 PolarHBondContact O-N 3.12Å; T454-E457 WeakPolarHBondContact CB-OE2 3.24Å; T454-E457 WeakPolarHBondContact CG2-OE2 3.23Å; T454-E457 PolarHBondContact N-OE2 3.09Å; T454-E457 PolarHBondContact O-N 3.16Å; T454-E457 VanDerWaalsContact O-N 3.13Å; T454-E457 WeakPolarHBondContact OG1-CG 3.41Å; T454-E457 PolarHBondContact OG1-N 2.78Å; T454-E457 PolarHBondContact OG1-OE2 3.42Å; T454-L458 WeakPolarHBondContact O-CG 3.16Å; T454-L458 PolarHBondContact O-N 3.32Å
455	H	97.7	Very high	84.8	Confident	120 Å²	120	90.3 Å²	90.3	56%	0.556	43%	0.431	S	S	*	.	H	α-helix	trans	-57.8	-32.9	174.4	73.5	-66.5	0	0	0	112.9	L458 E459	H455-L458 PolarHBondContact O-N 2.73Å; H455-E459 WeakPolarHBondContact O-CB 3.47Å; H455-E459 PolarHBondContact O-N 3.12Å
456	F	97.9	Very high	87.6	Confident	24 Å²	24	88.5 Å²	88.5	11%	0.105	42%	0.415	C	S	.	.	H	α-helix	trans	-61.1	-43	175.2	-61.1	-57.4	0	0	0	112.7	R73 F303 T454 G460	R73-F456 VanDerWaalsContact NH2-CD1 3.34Å; F303-F456 HydrophobicContact CB-CB 4.36Å; F303-F456 HydrophobicContact CD1-CB 4.42Å; T454-F456 PolarHBondContact O-N 3.12Å; F456-G460 PolarHBondContact O-N 3.03Å
457	E	98.3	Very high	90.3	Very high	13 Å²	13	81.6 Å²	81.6	6%	0.061	39%	0.385	C	S	.	.	H	α-helix	trans	-72	-41.6	178.1	-67.1	164.4	98.5	0	0	111	F303 Y340 L453 T454 G460 L461	F303-E457 HydrophobicContact CD1-CG 3.92Å; F303-E457 HydrophobicContact CE1-CG 3.8Å; F303-E457 WeakPolarHBondContact CE1-OE2 3.12Å; F303-E457 HydrophobicContact CZ-CG 4.45Å; Y340-E457 PolarHBondContact OH-OE1 3.35Å; L453-E457 HydrophobicContact CB-CB 4.34Å; T454-E457 WeakPolarHBondContact CB-OE2 3.24Å; T454-E457 WeakPolarHBondContact CG2-OE2 3.23Å; T454-E457 PolarHBondContact N-OE2 3.09Å; T454-E457 PolarHBondContact O-N 3.16Å; T454-E457 VanDerWaalsContact O-N 3.13Å; T454-E457 WeakPolarHBondContact OG1-CG 3.41Å; T454-E457 PolarHBondContact OG1-N 2.78Å; T454-E457 PolarHBondContact OG1-OE2 3.42Å; E457-G460 PolarHBondContact O-N 3.17Å; E457-L461 WeakPolarHBondContact O-CB 3.4Å; E457-L461 VanDerWaalsContact O-CG 3.26Å; E457-L461 WeakPolarHBondContact O-CG 3.47Å; E457-L461 PolarHBondContact O-N 2.95Å
458	L	97.7	Very high	92.9	Very high	102 Å²	102	72.3 Å²	72.3	53%	0.534	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-44.7	177.6	-69.2	170.8	0	0	0	112.3	L453 T454 H455 R462	L453-L458 HydrophobicContact CB-CD2 4.08Å; L453-L458 HydrophobicContact CB-CG 3.99Å; L453-L458 HydrophobicContact CD1-CD2 4.02Å; T454-L458 WeakPolarHBondContact O-CG 3.16Å; T454-L458 PolarHBondContact O-N 3.32Å; H455-L458 PolarHBondContact O-N 2.73Å; L458-R462 WeakPolarHBondContact O-CB 3.02Å; L458-R462 PolarHBondContact O-N 3.24Å
459	E	98.1	Very high	94.8	Very high	103 Å²	103	68.8 Å²	68.8	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-44.6	172.3	-174.2	-176.7	-173.5	0	0	110.8	P306 H455 R462 C463	P306-E459 HydrophobicContact CG-CG 3.96Å; H455-E459 WeakPolarHBondContact O-CB 3.47Å; H455-E459 PolarHBondContact O-N 3.12Å; E459-R462 PolarHBondContact O-N 3.04Å; E459-C463 PolarHBondContact O-N 3.39Å; E459-C463 PolarHBondContact O-SG 3.42Å; E459-C463 VanDerWaalsContact O-SG 3.35Å
460	G	98.3	Very high	96.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-45.3	-178.7	0	0	0	0	0	114.2	F456 E457 C463 L464	F456-G460 PolarHBondContact O-N 3.03Å; E457-G460 PolarHBondContact O-N 3.17Å; G460-C463 PolarHBondContact O-N 3.16Å; G460-L464 PolarHBondContact O-N 2.73Å
461	L	98.4	Very high	97.2	Very high	18 Å²	18	57.9 Å²	57.9	9%	0.094	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-43.4	175.9	-72.2	171.3	0	0	0	111.1	L337 Y340 L453 E457 C463 L464 V465	L337-L461 HydrophobicContact CD2-CD2 3.7Å; Y340-L461 HydrophobicContact CD1-CD1 3.85Å; Y340-L461 HydrophobicContact CD1-CD2 4.35Å; Y340-L461 HydrophobicContact CD2-CD2 3.78Å; Y340-L461 HydrophobicContact CE1-CD1 4.23Å; Y340-L461 HydrophobicContact CE2-CD2 4.29Å; Y340-L461 HydrophobicContact CG-CD1 4.12Å; Y340-L461 HydrophobicContact CG-CD2 3.82Å; L453-L461 HydrophobicContact CD1-CD1 3.81Å; E457-L461 WeakPolarHBondContact O-CB 3.4Å; E457-L461 VanDerWaalsContact O-CG 3.26Å; E457-L461 WeakPolarHBondContact O-CG 3.47Å; E457-L461 PolarHBondContact O-N 2.95Å; L461-C463 VanDerWaalsContact C-N 3.34Å; L461-C463 PolarHBondContact O-N 2.8Å; L461-L464 WeakPolarHBondContact O-CB 3.48Å; L461-L464 PolarHBondContact O-N 3.07Å; L461-V465 WeakPolarHBondContact O-CG2 3.45Å; L461-V465 PolarHBondContact O-N 2.84Å
462	R	98.4	Very high	97.3	Very high	177 Å²	177	57.2 Å²	57.2	67%	0.668	29%	0.286	S	S	*	.	H	α-helix	trans	-58.2	-46.4	172.9	179.7	179.4	177.5	165	4.4	111.4	L458 E459 L464 V465 D466	L458-R462 WeakPolarHBondContact O-CB 3.02Å; L458-R462 PolarHBondContact O-N 3.24Å; E459-R462 PolarHBondContact O-N 3.04Å; R462-L464 VanDerWaalsContact C-N 3.33Å; R462-L464 PolarHBondContact O-N 3.49Å; R462-V465 PolarHBondContact O-N 3.16Å; R462-D466 IonicContact NE-OD2 2.71Å; R462-D466 WeakPolarHBondContact O-CB 3.43Å; R462-D466 PolarHBondContact O-N 3.43Å
463	C	98.4	Very high	97.1	Very high	36 Å²	36	56.7 Å²	56.7	24%	0.243	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-33.6	176.9	-69	0	0	0	0	113.2	P306 L309 E459 G460 L461 K467	P306-C463 HydrophobicContact CG-CB 4.41Å; L309-C463 HydrophobicContact CD1-CB 3.87Å; L309-C463 WeakPolarHBondContact CD1-O 3.15Å; E459-C463 PolarHBondContact O-N 3.39Å; E459-C463 PolarHBondContact O-SG 3.42Å; E459-C463 VanDerWaalsContact O-SG 3.35Å; G460-C463 PolarHBondContact O-N 3.16Å; L461-C463 VanDerWaalsContact C-N 3.34Å; L461-C463 PolarHBondContact O-N 2.8Å; C463-K467 WeakPolarHBondContact O-CB 3.21Å; C463-K467 PolarHBondContact O-N 3.01Å
464	L	98.1	Very high	96.8	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-48.8	171.2	-72	-176.1	0	0	0	111.4	W168 I305 L309 C333 V336 L337 G460 L461 R462 K467 L468	W168-L464 HydrophobicContact CH2-CD2 4.43Å; I305-L464 HydrophobicContact CD1-CD1 4.06Å; I305-L464 HydrophobicContact CD1-CG 4.3Å; I305-L464 HydrophobicContact CG2-CD1 4.45Å; I305-L464 HydrophobicContact CG2-CD2 3.5Å; I305-L464 HydrophobicContact CG2-CG 3.74Å; L309-L464 HydrophobicContact CD1-CD2 4.25Å; L309-L464 HydrophobicContact CD2-CD2 4.22Å; C333-L464 HydrophobicContact CB-CD2 3.9Å; V336-L464 HydrophobicContact CB-CD1 4.13Å; V336-L464 HydrophobicContact CG1-CD1 3.67Å; L337-L464 HydrophobicContact CD1-CB 4.47Å; L337-L464 HydrophobicContact CD2-CB 3.94Å; L337-L464 HydrophobicContact CD2-CD1 3.8Å; L337-L464 HydrophobicContact CG-CB 4.35Å; L337-L464 HydrophobicContact CG-CD1 4.21Å; G460-L464 PolarHBondContact O-N 2.73Å; L461-L464 WeakPolarHBondContact O-CB 3.48Å; L461-L464 PolarHBondContact O-N 3.07Å; R462-L464 VanDerWaalsContact C-N 3.33Å; R462-L464 PolarHBondContact O-N 3.49Å; L464-K467 PolarHBondContact O-N 3.39Å; L464-L468 WeakPolarHBondContact O-CB 3.13Å; L464-L468 VanDerWaalsContact O-CG 3.29Å; L464-L468 WeakPolarHBondContact O-CG 3.32Å; L464-L468 PolarHBondContact O-N 3.21Å
465	V	98.1	Very high	96.4	Very high	6 Å²	6	66.3 Å²	66.3	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-58.6	-56.5	178.5	168.9	0	0	0	0	110.7	L337 L461 R462 K467 L468 E469 I489 V492 K493	L337-V465 HydrophobicContact CD1-CG2 4.14Å; L337-V465 HydrophobicContact CD2-CG2 4.46Å; L461-V465 WeakPolarHBondContact O-CG2 3.45Å; L461-V465 PolarHBondContact O-N 2.84Å; R462-V465 PolarHBondContact O-N 3.16Å; V465-K467 PolarHBondContact O-N 3.42Å; V465-L468 PolarHBondContact O-N 3.36Å; V465-E469 WeakPolarHBondContact O-CB 3.34Å; V465-E469 WeakPolarHBondContact O-CG 3.34Å; V465-E469 PolarHBondContact O-N 3.19Å; V465-I489 HydrophobicContact CB-CD1 4.48Å; V465-I489 HydrophobicContact CG1-CD1 4.37Å; V465-I489 HydrophobicContact CG1-CG2 4.18Å; V465-I489 HydrophobicContact CG2-CD1 4.15Å; V465-V492 HydrophobicContact CG2-CB 4Å; V465-V492 HydrophobicContact CG2-CG1 3.43Å; V465-V492 VanDerWaalsContact CG2-CG1 3.43Å; V465-K493 HydrophobicContact CG1-CD 4.33Å; V465-K493 HydrophobicContact CG1-CG 4.17Å
466	D	98.1	Very high	96.1	Very high	83 Å²	83	61.6 Å²	61.6	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-55.8	-38.1	179.6	-70.3	-20.4	0	0	0	110.8	R462 S470	R462-D466 IonicContact NE-OD2 2.71Å; R462-D466 WeakPolarHBondContact O-CB 3.43Å; R462-D466 PolarHBondContact O-N 3.43Å; D466-S470 WeakPolarHBondContact O-CB 3.42Å; D466-S470 PolarHBondContact O-N 3.08Å
467	K	98.1	Very high	96	Very high	47 Å²	47	62.7 Å²	62.7	20%	0.204	32%	0.315	C	S	.	.	H	α-helix	trans	-71.3	-50	178.4	-179.6	59.7	178.4	173.6	0	112.7	L309 Y330 C463 L464 V465 E469 S470 L471	L309-K467 HydrophobicContact CD1-CB 4.02Å; L309-K467 HydrophobicContact CD1-CG 4.34Å; L309-K467 HydrophobicContact CD2-CG 4.14Å; Y330-K467 HydrophobicContact CE1-CG 4.12Å; Y330-K467 WeakPolarHBondContact OH-CE 3.5Å; Y330-K467 PolarHBondContact OH-NZ 3.37Å; C463-K467 WeakPolarHBondContact O-CB 3.21Å; C463-K467 PolarHBondContact O-N 3.01Å; L464-K467 PolarHBondContact O-N 3.39Å; V465-K467 PolarHBondContact O-N 3.42Å; K467-E469 VanDerWaalsContact C-N 3.3Å; K467-E469 PolarHBondContact O-N 3.03Å; K467-S470 PolarHBondContact O-N 3.48Å; K467-S470 VanDerWaalsContact O-N 3.1Å; K467-S470 PolarHBondContact O-OG 3.1Å; K467-L471 PolarHBondContact O-N 3.25Å
468	L	97.6	Very high	96	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-67.3	-30.7	-177.2	-69.9	173.7	0	0	0	112.2	Y330 C333 W334 L337 L464 V465 L471	Y330-L468 HydrophobicContact CD1-CD2 4.1Å; C333-L468 HydrophobicContact CB-CD1 4.26Å; C333-L468 HydrophobicContact CB-CD2 4.28Å; W334-L468 HydrophobicContact CD2-CD1 3.89Å; W334-L468 HydrophobicContact CE3-CD1 4.08Å; W334-L468 HydrophobicContact CG-CD1 4.37Å; W334-L468 HydrophobicContact CH2-CB 4.22Å; W334-L468 HydrophobicContact CH2-CD1 4.32Å; W334-L468 HydrophobicContact CZ2-CB 3.94Å; W334-L468 HydrophobicContact CZ2-CD1 4.14Å; W334-L468 HydrophobicContact CZ2-CD2 4.23Å; W334-L468 HydrophobicContact CZ2-CG 4.33Å; W334-L468 HydrophobicContact CZ3-CD1 4.3Å; L337-L468 HydrophobicContact CD1-CD1 3.7Å; L337-L468 HydrophobicContact CG-CD1 4.46Å; L464-L468 WeakPolarHBondContact O-CB 3.13Å; L464-L468 VanDerWaalsContact O-CG 3.29Å; L464-L468 WeakPolarHBondContact O-CG 3.32Å; L464-L468 PolarHBondContact O-N 3.21Å; V465-L468 PolarHBondContact O-N 3.36Å; L468-L471 HydrophobicContact CD2-CD1 3.89Å
469	E	96.9	Very high	95.9	Very high	87 Å²	87	60.1 Å²	60.1	41%	0.407	30%	0.304	S	S	.	.	H	α-helix	trans	-71.1	-34	169.6	-70.5	-170.2	130.3	0	0	112.8	V465 K467 L471 I489 K493	V465-E469 WeakPolarHBondContact O-CB 3.34Å; V465-E469 WeakPolarHBondContact O-CG 3.34Å; V465-E469 PolarHBondContact O-N 3.19Å; K467-E469 VanDerWaalsContact C-N 3.3Å; K467-E469 PolarHBondContact O-N 3.03Å; E469-L471 PolarHBondContact O-N 3.1Å; E469-I489 HydrophobicContact CG-CG2 4.11Å; E469-I489 WeakPolarHBondContact OE1-CG2 3.27Å; E469-K493 IonicContact OE1-NZ 3.82Å; E469-K493 PolarHBondContact OE1-NZ 3.26Å; E469-K493 WeakPolarHBondContact OE2-CE 3.49Å; E469-K493 IonicContact OE2-NZ 2.64Å; E469-K493 PolarHBondContact OE2-NZ 3.48Å
470	S	96.9	Very high	95.6	Very high	78 Å²	78	61 Å²	61	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-71.7	-14.1	177.2	78.4	0	0	0	0	114.5	D466 K467	D466-S470 WeakPolarHBondContact O-CB 3.42Å; D466-S470 PolarHBondContact O-N 3.08Å; K467-S470 PolarHBondContact O-N 3.48Å; K467-S470 VanDerWaalsContact O-N 3.1Å; K467-S470 PolarHBondContact O-OG 3.1Å
471	L	95.6	Very high	95.5	Very high	17 Å²	17	61 Å²	61	9%	0.089	32%	0.317	C	S	.	.	S	Bend	trans	-72.6	134.3	-180	-68.2	174.8	0	0	0	110.9	Y330 K467 L468 E469 K476	Y330-L471 HydrophobicContact CD1-CD1 3.79Å; Y330-L471 HydrophobicContact CD2-CD1 4.12Å; Y330-L471 HydrophobicContact CE1-CD1 3.93Å; Y330-L471 HydrophobicContact CE1-CD2 4.34Å; Y330-L471 HydrophobicContact CE2-CD1 4.26Å; Y330-L471 HydrophobicContact CE2-CD2 4.13Å; Y330-L471 HydrophobicContact CG-CD1 3.89Å; K467-L471 PolarHBondContact O-N 3.25Å; L468-L471 HydrophobicContact CD2-CD1 3.89Å; E469-L471 PolarHBondContact O-N 3.1Å; L471-K476 HydrophobicContact CB-CG 4.35Å
472	P	94.1	Very high	95.5	Very high	61 Å²	61	60.9 Å²	60.9	40%	0.396	32%	0.316	S	S	.	.			trans	-64.3	145.2	173.5	29.4	-34.4	0	0	0	109.4	H474 K475 K476	P472-H474 VanDerWaalsContact C-N 3.26Å; P472-H474 PolarHBondContact O-N 3.25Å; P472-K475 HydrophobicContact CG-CB 4.04Å; P472-K475 HydrophobicContact CG-CD 4.05Å; P472-K475 HydrophobicContact CG-CG 4.03Å; P472-K475 CarbonylContact O-C 3.57Å; P472-K475 WeakPolarHBondContact O-CA 3.46Å; P472-K475 PolarHBondContact O-N 2.88Å; P472-K476 PolarHBondContact O-N 3.46Å
473	L	89.4	Confident	95.4	Very high	146 Å²	146	57.5 Å²	57.5	76%	0.764	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-45.8	-45.3	-171.7	-62	176.1	0	0	0	114.1	K475 K476	L473-K475 PolarHBondContact O-N 3Å; L473-K475 VanDerWaalsContact O-N 3.09Å; L473-K476 HydrophobicContact CD2-CD 4.09Å; L473-K476 PolarHBondContact O-N 3.16Å
474	H	88.4	Confident	95.3	Very high	154 Å²	154	59.5 Å²	59.5	71%	0.713	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-70.6	-0.2	179.5	70.8	-88	0	0	0	115.3	P472	P472-H474 VanDerWaalsContact C-N 3.26Å; P472-H474 PolarHBondContact O-N 3.25Å
475	K	90.8	Very high	95.2	Very high	118 Å²	118	62.4 Å²	62.4	51%	0.513	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-130.7	13.2	174.6	-54.2	-171.1	179.8	-175	0	112.8	P472 L473 C477	P472-K475 HydrophobicContact CG-CB 4.04Å; P472-K475 HydrophobicContact CG-CD 4.05Å; P472-K475 HydrophobicContact CG-CG 4.03Å; P472-K475 CarbonylContact O-C 3.57Å; P472-K475 WeakPolarHBondContact O-CA 3.46Å; P472-K475 PolarHBondContact O-N 2.88Å; L473-K475 PolarHBondContact O-N 3Å; L473-K475 VanDerWaalsContact O-N 3.09Å; K475-C477 PolarHBondContact O-N 2.67Å
476	K	91.1	Very high	95.2	Very high	21 Å²	21	67 Å²	67	9%	0.091	36%	0.355	C	S	.	.			trans	-60.4	-25.4	174.4	-90.1	-178.8	167.5	-108.4	0	112.1	W334 L471 P472 L473 V478 D486	W334-K476 PolarHBondContact NE1-O 2.85Å; L471-K476 HydrophobicContact CB-CG 4.35Å; P472-K476 PolarHBondContact O-N 3.46Å; L473-K476 HydrophobicContact CD2-CD 4.09Å; L473-K476 PolarHBondContact O-N 3.16Å; K476-V478 HydrophobicContact CB-CG2 3.99Å; K476-V478 PolarHBondContact O-N 3.29Å; K476-D486 IonicContact NZ-OD1 2.73Å
477	C	95.4	Very high	95.1	Very high	48 Å²	48	64.7 Å²	64.7	32%	0.324	35%	0.347	S	S	.	.			trans	53.6	39.6	176.5	-78	0	0	0	0	112.7	E331 W334 K475 P479	E331-C477 HydrophobicContact CG-CB 4.37Å; E331-C477 WeakPolarHBondContact CG-O 3.46Å; E331-C477 WeakPolarHBondContact OE1-CB 3.2Å; E331-C477 PolarHBondContact OE1-SG 3.13Å; E331-C477 VanDerWaalsContact OE1-SG 3.38Å; W334-C477 VanDerWaalsContact CD1-O 3.23Å; K475-C477 PolarHBondContact O-N 2.67Å; C477-P479 WeakPolarHBondContact O-CD 3.25Å
478	V	97.3	Very high	95.2	Very high	47 Å²	47	62.5 Å²	62.5	29%	0.285	34%	0.337	S	S	.	.			trans	-64.2	120.4	174.3	-173.1	0	0	0	0	107.7	W334 K476 I482 E485	W334-V478 HydrophobicContact CZ2-CG2 4.07Å; K476-V478 HydrophobicContact CB-CG2 3.99Å; K476-V478 PolarHBondContact O-N 3.29Å; V478-I482 HydrophobicContact CG1-CB 4.03Å; V478-I482 HydrophobicContact CG1-CG2 4.15Å; V478-E485 HydrophobicContact CG1-CB 4.02Å; V478-E485 HydrophobicContact CG2-CB 3.93Å; V478-E485 HydrophobicContact CG2-CG 3.91Å
479	P	96.6	Very high	95.2	Very high	13 Å²	13	62.7 Å²	62.7	8%	0.084	34%	0.338	C	S	.	.			trans	-77.5	152.8	-177.8	32.5	-34.4	0	0	0	110.6	E331 W334 Y335 C477 G481 I482	E331-P479 HydrophobicContact CB-CB 4.04Å; E331-P479 HydrophobicContact CB-CG 4.48Å; E331-P479 HydrophobicContact CG-CB 4.25Å; W334-P479 VanDerWaalsContact CB-CD 3.46Å; W334-P479 HydrophobicContact CB-CG 3.88Å; Y335-P479 HydrophobicContact CD1-CG 4.36Å; Y335-P479 HydrophobicContact CD2-CB 4.42Å; Y335-P479 HydrophobicContact CD2-CG 4.05Å; Y335-P479 HydrophobicContact CE1-CB 4.43Å; Y335-P479 HydrophobicContact CE1-CG 3.96Å; Y335-P479 HydrophobicContact CE2-CB 3.61Å; Y335-P479 HydrophobicContact CE2-CG 3.65Å; Y335-P479 HydrophobicContact CG-CG 4.4Å; C477-P479 WeakPolarHBondContact O-CD 3.25Å; P479-G481 PolarHBondContact O-N 3.12Å; P479-I482 HydrophobicContact CG-CG1 3.85Å; P479-I482 PolarHBondContact O-N 2.98Å
480	T	92.3	Very high	95.2	Very high	123 Å²	123	61.1 Å²	61.1	76%	0.755	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.5	-176.5	51	0	0	0	0	114.9
481	G	95.8	Very high	95.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-15.9	175.7	0	0	0	0	0	115	Y335 L350 T351 F354 P479	Y335-G481 PolarHBondContact OH-N 3.42Å; L350-G481 CarbonylContact C-O 3.52Å; L350-G481 WeakPolarHBondContact CA-O 3.46Å; L350-G481 VanDerWaalsContact CD2-O 3.3Å; L350-G481 WeakPolarHBondContact CD2-O 3.31Å; T351-G481 PolarHBondContact N-O 2.81Å; F354-G481 VanDerWaalsContact CE1-CA 3.47Å; P479-G481 PolarHBondContact O-N 3.12Å
482	I	97.9	Very high	95.2	Very high	14 Å²	14	59.6 Å²	59.6	7%	0.072	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-91.6	138	-176.7	-62	-68.1	0	0	0	111.1	W334 Y335 E338 H349 L350 V478 P479 L488	W334-I482 HydrophobicContact CB-CG1 4.46Å; Y335-I482 HydrophobicContact CD1-CD1 4.3Å; Y335-I482 HydrophobicContact CE1-CD1 4.47Å; Y335-I482 HydrophobicContact CE1-CG1 4.45Å; E338-I482 HydrophobicContact CB-CD1 3.78Å; E338-I482 HydrophobicContact CG-CD1 3.89Å; H349-I482 WeakPolarHBondContact O-CA 3.47Å; L350-I482 HydrophobicContact CD2-CD1 4.22Å; V478-I482 HydrophobicContact CG1-CB 4.03Å; V478-I482 HydrophobicContact CG1-CG2 4.15Å; P479-I482 HydrophobicContact CG-CG1 3.85Å; P479-I482 PolarHBondContact O-N 2.98Å; I482-L488 HydrophobicContact CD1-CD2 4.01Å; I482-L488 HydrophobicContact CG2-CD2 4.46Å
483	E	95.8	Very high	95.2	Very high	106 Å²	106	62.2 Å²	62.2	50%	0.495	33%	0.333	S	S	.	.	S	Bend	trans	-86.8	-43.8	-175.9	-170.6	167.3	-178.5	0	0	113.1	H349 T351 K352	H349-E483 PolarHBondContact O-N 3.2Å; T351-E483 HydrophobicContact CG2-CB 4.33Å; K352-E483 IonicContact NZ-OE1 2.71Å; K352-E483 IonicContact NZ-OE2 2.8Å; K352-E483 PolarHBondContact NZ-OE2 3.09Å
484	D	96.9	Very high	95.3	Very high	78 Å²	78	62.1 Å²	62.1	42%	0.417	34%	0.344	S	S	.	.			trans	-149.6	112.5	178.1	-177.9	-32.8	0	0	0	109.1	D486 A487 L488	D484-D486 PolarHBondContact OD1-N 3.44Å; D484-A487 HydrophobicContact CB-CB 3.86Å; D484-A487 VanDerWaalsContact CG-CB 3.47Å; D484-A487 WeakPolarHBondContact OD1-CB 3.39Å; D484-A487 PolarHBondContact OD1-N 3.42Å; D484-L488 PolarHBondContact O-N 3.36Å
485	E	97.1	Very high	95.6	Very high	62 Å²	62	57.5 Å²	57.5	29%	0.29	33%	0.326	S	S	.	.	H	α-helix	trans	-73.3	-28.7	-176	70.9	-95.8	-141	0	0	114	W334 V478 I489	W334-E485 HydrophobicContact CE3-CB 4.38Å; W334-E485 HydrophobicContact CH2-CB 3.69Å; W334-E485 HydrophobicContact CH2-CG 4.26Å; W334-E485 HydrophobicContact CZ2-CB 4.24Å; W334-E485 HydrophobicContact CZ3-CB 3.76Å; V478-E485 HydrophobicContact CG1-CB 4.02Å; V478-E485 HydrophobicContact CG2-CB 3.93Å; V478-E485 HydrophobicContact CG2-CG 3.91Å; E485-I489 VanDerWaalsContact O-CG1 3.31Å; E485-I489 WeakPolarHBondContact O-CG1 3.48Å; E485-I489 PolarHBondContact O-N 3.09Å; E485-I489 VanDerWaalsContact O-N 3.1Å
486	D	96.8	Very high	95.9	Very high	104 Å²	104	54.3 Å²	54.3	56%	0.556	32%	0.316	S	S	*	.	H	α-helix	trans	-81.7	-35.1	-177.4	-73.9	-21.4	0	0	0	110.1	K476 D484 I489 A490	K476-D486 IonicContact NZ-OD1 2.73Å; D484-D486 PolarHBondContact OD1-N 3.44Å; D486-I489 PolarHBondContact O-N 3.07Å; D486-A490 WeakPolarHBondContact O-CB 3.34Å; D486-A490 PolarHBondContact O-N 2.75Å
487	A	97.6	Very high	96.2	Very high	34 Å²	34	56.2 Å²	56.2	28%	0.281	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-40.6	169.4	0	0	0	0	0	112.1	D484 A490 D491	D484-A487 HydrophobicContact CB-CB 3.86Å; D484-A487 VanDerWaalsContact CG-CB 3.47Å; D484-A487 WeakPolarHBondContact OD1-CB 3.39Å; D484-A487 PolarHBondContact OD1-N 3.42Å; A487-A490 PolarHBondContact O-N 3.08Å; A487-D491 PolarHBondContact O-N 3.32Å
488	L	98.2	Very high	96.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.9	-46.8	174.3	174.9	56.3	0	0	0	111.5	W334 L337 E338 V341 H349 I482 D484 A490 D491 V492	W334-L488 HydrophobicContact CE3-CD2 4.01Å; W334-L488 HydrophobicContact CZ3-CD2 4.41Å; L337-L488 HydrophobicContact CB-CD1 4.38Å; L337-L488 HydrophobicContact CB-CD2 4.23Å; L337-L488 HydrophobicContact CB-CG 4.35Å; E338-L488 HydrophobicContact CB-CD2 4.15Å; V341-L488 HydrophobicContact CB-CD1 4.21Å; V341-L488 HydrophobicContact CG2-CD1 3.86Å; H349-L488 HydrophobicContact CB-CB 4.09Å; H349-L488 HydrophobicContact CB-CD1 4.12Å; H349-L488 HydrophobicContact CB-CD2 4.39Å; H349-L488 HydrophobicContact CB-CG 4.43Å; I482-L488 HydrophobicContact CD1-CD2 4.01Å; I482-L488 HydrophobicContact CG2-CD2 4.46Å; D484-L488 PolarHBondContact O-N 3.36Å; L488-A490 VanDerWaalsContact C-N 3.3Å; L488-A490 PolarHBondContact O-N 3.01Å; L488-D491 PolarHBondContact O-N 2.98Å; L488-V492 HydrophobicContact CD1-CG2 4.23Å; L488-V492 WeakPolarHBondContact O-CG2 3.49Å; L488-V492 PolarHBondContact O-N 3.02Å
489	I	97.9	Very high	96.1	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-37.9	176.4	-69.9	-70.1	0	0	0	111.7	W334 L337 V465 E469 E485 D486 V492 K493	W334-I489 HydrophobicContact CH2-CD1 4Å; W334-I489 HydrophobicContact CH2-CG1 3.77Å; W334-I489 HydrophobicContact CZ3-CD1 3.9Å; W334-I489 HydrophobicContact CZ3-CG1 3.74Å; L337-I489 HydrophobicContact CD1-CD1 3.76Å; V465-I489 HydrophobicContact CB-CD1 4.48Å; V465-I489 HydrophobicContact CG1-CD1 4.37Å; V465-I489 HydrophobicContact CG1-CG2 4.18Å; V465-I489 HydrophobicContact CG2-CD1 4.15Å; E469-I489 HydrophobicContact CG-CG2 4.11Å; E469-I489 WeakPolarHBondContact OE1-CG2 3.27Å; E485-I489 VanDerWaalsContact O-CG1 3.31Å; E485-I489 WeakPolarHBondContact O-CG1 3.48Å; E485-I489 PolarHBondContact O-N 3.09Å; E485-I489 VanDerWaalsContact O-N 3.1Å; D486-I489 PolarHBondContact O-N 3.07Å; I489-V492 PolarHBondContact O-N 2.96Å; I489-K493 HydrophobicContact CG2-CD 4.14Å; I489-K493 WeakPolarHBondContact O-CG 3.45Å; I489-K493 PolarHBondContact O-N 2.97Å
490	A	97.3	Very high	96.1	Very high	55 Å²	55	60.2 Å²	60.2	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-43.3	176.2	0	0	0	0	0	112.3	D486 A487 L488 K493 S494	D486-A490 WeakPolarHBondContact O-CB 3.34Å; D486-A490 PolarHBondContact O-N 2.75Å; A487-A490 PolarHBondContact O-N 3.08Å; L488-A490 VanDerWaalsContact C-N 3.3Å; L488-A490 PolarHBondContact O-N 3.01Å; A490-K493 PolarHBondContact O-N 3.05Å; A490-S494 PolarHBondContact O-N 3.48Å
491	D	96.6	Very high	96.4	Very high	28 Å²	28	55.7 Å²	55.7	15%	0.15	32%	0.318	C	S	.	.	H	α-helix	trans	-73.2	-24.3	178.4	-79.5	-13.5	0	0	0	113.8	V341 R347 H349 A487 L488 K493 S494	V341-D491 HydrophobicContact CG1-CB 4.08Å; V341-D491 HydrophobicContact CG2-CB 4.45Å; R347-D491 WeakPolarHBondContact CD-OD2 3.44Å; R347-D491 IonicContact CZ-OD1 3.16Å; R347-D491 IonicContact CZ-OD2 2.86Å; R347-D491 IonicContact NE-OD2 2.78Å; R347-D491 IonicContact NH1-OD1 3.6Å; R347-D491 PolarHBondContact NH1-OD1 3.1Å; R347-D491 IonicContact NH1-OD2 3.25Å; R347-D491 PolarHBondContact NH1-OD2 2.91Å; H349-D491 IonicContact CE1-OD2 3.6Å; H349-D491 PolarHBondContact CE1-OD2 3.48Å; H349-D491 IonicContact NE2-OD2 2.78Å; H349-D491 PolarHBondContact NE2-OD2 3.22Å; A487-D491 PolarHBondContact O-N 3.32Å; L488-D491 PolarHBondContact O-N 2.98Å; D491-K493 VanDerWaalsContact C-N 3.3Å; D491-S494 PolarHBondContact O-OG 3.39Å; D491-S494 VanDerWaalsContact O-OG 3.04Å
492	V	95.9	Very high	96.4	Very high	35 Å²	35	60 Å²	60	21%	0.212	34%	0.343	C	S	.	.	H	α-helix	trans	-73.3	-26.5	169.8	179.8	0	0	0	0	111.3	L337 V341 V465 L488 I489	L337-V492 HydrophobicContact CB-CG2 4.08Å; L337-V492 HydrophobicContact CD1-CG2 4.33Å; L337-V492 HydrophobicContact CD2-CG1 4.09Å; L337-V492 HydrophobicContact CD2-CG2 4.11Å; L337-V492 HydrophobicContact CG-CG2 4.4Å; V341-V492 HydrophobicContact CG2-CB 4.45Å; V341-V492 HydrophobicContact CG2-CG2 3.44Å; V341-V492 VanDerWaalsContact CG2-CG2 3.44Å; V465-V492 HydrophobicContact CG2-CB 4Å; V465-V492 HydrophobicContact CG2-CG1 3.43Å; V465-V492 VanDerWaalsContact CG2-CG1 3.43Å; L488-V492 HydrophobicContact CD1-CG2 4.23Å; L488-V492 WeakPolarHBondContact O-CG2 3.49Å; L488-V492 PolarHBondContact O-N 3.02Å; I489-V492 PolarHBondContact O-N 2.96Å
493	K	94.9	Very high	96.3	Very high	116 Å²	116	63.8 Å²	63.8	50%	0.504	37%	0.365	S	S	.	.	H	α-helix	trans	-84.7	-17.1	-179.7	-75.5	176.8	174.5	-175.1	0	114.1	V465 E469 I489 A490 D491	V465-K493 HydrophobicContact CG1-CD 4.33Å; V465-K493 HydrophobicContact CG1-CG 4.17Å; E469-K493 IonicContact OE1-NZ 3.82Å; E469-K493 PolarHBondContact OE1-NZ 3.26Å; E469-K493 WeakPolarHBondContact OE2-CE 3.49Å; E469-K493 IonicContact OE2-NZ 2.64Å; E469-K493 PolarHBondContact OE2-NZ 3.48Å; I489-K493 HydrophobicContact CG2-CD 4.14Å; I489-K493 WeakPolarHBondContact O-CG 3.45Å; I489-K493 PolarHBondContact O-N 2.97Å; A490-K493 PolarHBondContact O-N 3.05Å; D491-K493 VanDerWaalsContact C-N 3.3Å
494	S	90.9	Very high	96.4	Very high	143 Å²	143	60 Å²	60	100%	1	35%	0.354	S	S	*	.			trans	-84.6	0	-179.8	66.6	0	0	0	0	113.1	A490 D491	A490-S494 PolarHBondContact O-N 3.48Å; D491-S494 PolarHBondContact O-OG 3.39Å; D491-S494 VanDerWaalsContact O-OG 3.04Å

Retrieved 494 of 494 residues in 652 ms (Link to these results)

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